A new magnetic MOF with cyclic triazolate and linear azido mediators, [Co2（trz）3fN3）], 1 （trz- = 1,2,4-triazolate）, was hydrothermally synthesized and structurally and magnetically characterized. 1 crystallizes i...A new magnetic MOF with cyclic triazolate and linear azido mediators, [Co2（trz）3fN3）], 1 （trz- = 1,2,4-triazolate）, was hydrothermally synthesized and structurally and magnetically characterized. 1 crystallizes in the rhombohedral P63/mmc space group with a = b = 10.0716（17）, c = 7.5860（14） A, V = 666.4（2） A3, Dc = 1.814 g/cm3, Mr = 364.09, Z = 2, F（000） = 360,μ = 2.499 mm-1, the final R = 0.0676 and wR = 0.1952 for 229 observed reflections with 1 〉 20（/）. Complex 1 consists of linear {Co（trz）3}n chains passing through a C6 rotation axis, which are interconnected with tetrahedral Con ion by μ3-trz- ligands into a hexagonal three-dimensional antiferromagnetic framework.展开更多
A novel three-dimensional （3D） silver（I） coordination polymer, namely [Ag2（dmtrz）2]n （1） （Hdmtrz=3,5-dimethyl-1H,1,2,4-triazole）, was synthesized through diffusion method. 1 was characterized by elemental an...A novel three-dimensional （3D） silver（I） coordination polymer, namely [Ag2（dmtrz）2]n （1） （Hdmtrz=3,5-dimethyl-1H,1,2,4-triazole）, was synthesized through diffusion method. 1 was characterized by elemental analysis, FT-IR spectroscopy, thermogravimetric analysis （TGA） and single-crystal X-ray diffraction. 1 crystallizes in the orthorhombic system, space group Iba2 with a=12.5026（10）, b=7.6026（6）, c=18.8981（17）, V=1796.3（3）3, Z=6, Mr=407.98, Dc=2.263 g·cm-3, μ=3.252 mm-1, F（000）=1176, the final R=0.0304 and wR=0.0634 for 1310 observed reflections （I 〉 2σ（I））. In the structure of 1, silver（I） centers are triconnected to dmtrz ligands, forming the （3,3）-connected 3D coordination polymer with a 6.102 topology. The luminescence property of 1 was also studied in solid state at room temperature.展开更多
Currently,triazole sulfonamide fungicide could be used to effectively control cucumber downy mildew(CDM),caused by Pseudoperonospora cubensis.In this study,a series of triazole sulfonamide derivatives containing diphe...Currently,triazole sulfonamide fungicide could be used to effectively control cucumber downy mildew(CDM),caused by Pseudoperonospora cubensis.In this study,a series of triazole sulfonamide derivatives containing diphenyl ether(DE)fragment were designed and synthesized.All target compounds were evaluated for their fungicidal activity against four oomycete diseases.Compound 10b showed the best activity against CDM with 40%control efficacy at 0.78 mg/L,which was the same as amisulbrom.Meanwhile,compounds 10d and 10h showed good inhibitory activity against Peronophythora litchii and compounds 10e,10f,10l and 10q showed good inhibitory activity against Phytophthora infestans.The results of computational chemistry showed that compound 10b had the same binding mode as amisulbrom and formed hydrogen bonds with the residues Gln9,His189 and Ash217.Compound 10b could be further investigated as a potential fungicide candidate.This study also provides a useful optimization strategy for the design of novel fungicides against CDM.展开更多
Eleven 1-(1H-1,2,4-triazole)-2-(2,4-diflurophenyl)-3-(N-methyl-N-substituted benzylamino)-2-propanols were designed and synthesized, on the basis of the crystal structure of P450 cytochrome 14α-sterol demethylase(CYP...Eleven 1-(1H-1,2,4-triazole)-2-(2,4-diflurophenyl)-3-(N-methyl-N-substituted benzylamino)-2-propanols were designed and synthesized, on the basis of the crystal structure of P450 cytochrome 14α-sterol demethylase(CYP51) and the docking results of inhibitors to the active site of the enzyme. All title compounds were first by reported. Results of preliminary biological tests showed that most of title compounds exhibited activity against the seven common pathogenic fungi. Compound 11 showed best antifungal activity with broad antifungal spectrum and proved to be more active against Cryptococcus neoformans, Candida albicans, Microsporum lanosum and Trichophyton rubrum than ketoconazole. Compounds 3, 10 and 4 also had high activities.展开更多
The synthesis and structures of two novel zwitterionic ruthenium triazolato complexes are reported. The treatment of the ruthenium azido complex [Ru]-N3 (1, [Ru] = (η5-C5H5)(dppe)Ru, dppe = Ph2PCH2CH2PPh2) with an ex...The synthesis and structures of two novel zwitterionic ruthenium triazolato complexes are reported. The treatment of the ruthenium azido complex [Ru]-N3 (1, [Ru] = (η5-C5H5)(dppe)Ru, dppe = Ph2PCH2CH2PPh2) with an excess of ethyl propiolate in CHCl3 or CH2Cl2 under ambient conditions for 15 days results in the formation of a mixture of the Z- and E-forms of N(1)-bound ruthenium 3-ethylacryl-4-carboxylate-3H-1,2,3-triazolato complexes [Ru]N3(CH=CHCO2Et)C2H(CO2) (Z-3) and (E-3) in a ratio of ca. 5:2. The structures of E-3 and Z-3 were confirmed by single-crystal X-ray diffraction analysis and fully characterized by 1H, 31P, 13C NMR and IR spectroscopy, mass spectrometry, and elemental analysis. The negatively charged carboxylate moieties of the zwitterionic ruthenium triazolato complexes Z-3 and Z-3 are highly nucleophilic and reactive toward a variety of electrophiles, making Z-3 and Z-3 potential starting materials for the development of biologically active 1,2,3-triazole derivatives.展开更多
Seven podophyllotoxin analogues were synthesized by condensation of 4′ demethyl epipodophyllotoxin 10 with 5 alkyl 4 amino 3 mercapto 1,2,4 triazoles 9(a g) in the presence of TFA(CF 3COOH). Their antitumo...Seven podophyllotoxin analogues were synthesized by condensation of 4′ demethyl epipodophyllotoxin 10 with 5 alkyl 4 amino 3 mercapto 1,2,4 triazoles 9(a g) in the presence of TFA(CF 3COOH). Their antitumor activities were screened in vitro against HL 60 and K 562 cells.展开更多
The reaction of 4-amino-l,2,4-triazole with sodium dichloroisocyanurate （SDCI） afforded new tetrazene（N-N=N-N）-linked bi（1,2,4-triazole） 2a in excellent yield. Increasing the molar ratio of SDCI to 4-amino- 1,2,...The reaction of 4-amino-l,2,4-triazole with sodium dichloroisocyanurate （SDCI） afforded new tetrazene（N-N=N-N）-linked bi（1,2,4-triazole） 2a in excellent yield. Increasing the molar ratio of SDCI to 4-amino- 1,2,4-triazole, the chlorinated product 1,5,5＇- trichloro-4,4＇-azo-1,2,4-triazole （2b） was formed. These new compounds have been characterized by MS, ^1H NMR, ^13C NMR, and elemental analysis.展开更多
The synthesis and surfactant activities of two new cationic gemini surfactants containing triazole compound as spacer were described. Their critical micelle concentrations (CMC), which are 1.8×10-4 mol/L and 3.9...The synthesis and surfactant activities of two new cationic gemini surfactants containing triazole compound as spacer were described. Their critical micelle concentrations (CMC), which are 1.8×10-4 mol/L and 3.9×10-4 mol/L respectively, are much lower than that of conventional surfactant cetyltrimethyl ammonium chloride (CTAC). In addition, compared with some gemini surfactants containing phenylene, xylylene and stilbenyl as spacer, this new kind of surfactants has good solubility in water at room temperature because of containing more hydrophilic groups or atoms in molecules.展开更多
To find new structural leading compounds for the research of the multidrug resistant of antibacterial agents, five novel 8-substituted phenyl-1-pyridin-3-yl-5H-bis[1, 2, 4] triazolo[3, 4-b; 4′, 3′-d] thiadiazines we...To find new structural leading compounds for the research of the multidrug resistant of antibacterial agents, five novel 8-substituted phenyl-1-pyridin-3-yl-5H-bis[1, 2, 4] triazolo[3, 4-b; 4′, 3′-d] thiadiazines were prepared from the corresponding intermediates of 3-(5-substituted phenyl[1,3,4]oxadiazol-2-ylmethylsulfanyl)-5-pyridin-3-yl-[1,2,4]triazol-4-ylamines via intramole- cular cyclization and the antibacterial activity in vitro against Gram-postive (G+) and Gram negative (G-) bacteria was primarily evaluated.展开更多
In this short review, excerpts from the literature of azo-bridged triazoles(mainly 1,2,4-triazoles), some of their derivatives(chloromethyl,dinitro and trinitro pyrazole substituted ones, etc.) and some of their salts...In this short review, excerpts from the literature of azo-bridged triazoles(mainly 1,2,4-triazoles), some of their derivatives(chloromethyl,dinitro and trinitro pyrazole substituted ones, etc.) and some of their salts, have been presented focusing on the most recent investigations. These classes of compounds, known as high nitrogen compounds, are generally high energy density materials. Therefore, if available some of their ballistic properties were included.展开更多
A series of novel 3-alkylthio-4-arylideneamino-5-(2-furyl)-1, 2, 4-triazole derivatives were synthesized. Their chemical structures were confirmed with elemental analysis and spectral data. Endothelin(ET) receptor c...A series of novel 3-alkylthio-4-arylideneamino-5-(2-furyl)-1, 2, 4-triazole derivatives were synthesized. Their chemical structures were confirmed with elemental analysis and spectral data. Endothelin(ET) receptor competitive binding assay showed that some compounds exhibited high selective as potent ET-1 receptor antagonist.展开更多
This review covers recent advances in the synthesis and energetic performance of nitrogen-rich 1,2,4-oxadiazole-azoles-based energetic materials.These materials comprise of 1,2,4-oxadiazole subunit as a key structural...This review covers recent advances in the synthesis and energetic performance of nitrogen-rich 1,2,4-oxadiazole-azoles-based energetic materials.These materials comprise of 1,2,4-oxadiazole subunit as a key structural motif linked to different nitrogen-rich or nitrogen-oxygen azoles:tetrazole,furazan,furoxan,1,3,4-oxadiazole,pyrazole,and triazole.Particular attention is devoted to the introduction of various energetic groups including nitro,nitramino,azo,azoxy,dinitromethyl,trinitroethyl moieties,and their combination.The physicochemical and available performance parameters including density,decomposition temperature,heat of formation,detonation pressure,detonation velocity,impact sensitivity,and friction sensitivity of typical energetic compounds are also provided and analyzed.Eventually,it was obtained that several screened compounds exhibit superior detonation properties and outstanding insensitivities,which can be classified as a new family of high-performance energetic materials.Additionally,1,2,4-oxadiazole-azoles-based energetic materials still have many thorough works to further exploited and studied,expecting to get very promising insensitive high explosives for practical application and industrialization.展开更多
A series of 1-（1H-1,2,4-triazole-1-yl）-2-（2,4-difluoropheny1）-3-（N-isoproy1-N-substituted-amino）-2-propanols have been designed and synthesized on the basis of the active site of lanosterol 14a-demethylase （CY...A series of 1-（1H-1,2,4-triazole-1-yl）-2-（2,4-difluoropheny1）-3-（N-isoproy1-N-substituted-amino）-2-propanols have been designed and synthesized on the basis of the active site of lanosterol 14a-demethylase （CYP51）. Their structures were confirmed by MS and ^1H NMR. In vitro antifungal activities of these synthesized compounds were evaluated against eight human pathogenic fungi. The results showed that all title compounds exhibited activity against fungi tested to some extent. Compounds 3c, 3d, 7a, 7b and 7e exhibited more potent antifungal activities against nearly all fungi tested except AspergiUus fumigatus than fluconazole. ？2009 Qiu Ye Wu. Published by Elsevier B.V. on behalf of Chinese Chemical Society. All fights reserved.展开更多
A series of fluorine- and piperazine-containing 1,2,4-triazole thione derivatives were synthesized by the Mannich reaction of triazole intermediates with various substituted piperazines and formaldehyde in high yields...A series of fluorine- and piperazine-containing 1,2,4-triazole thione derivatives were synthesized by the Mannich reaction of triazole intermediates with various substituted piperazines and formaldehyde in high yields. Structures of title compounds were confirmed by melting points, IR,~1H NMR,^（13）C NMR and elemental analysis. The preliminary bioassays for 17 novel title compounds showed that several compounds have significant fungicidal activity against Cercospora arachidicola, Physalospora piricola and Rhizoctonia cerealis at 50 mg/m L.展开更多
In this paper, the fully optimized molecular geometries and electronic structures of six 1,2,3- and 1,2,4-triazoles were calculated using density functional theory B3LYP/6-311G^＊＊ method. The salvation energies were...In this paper, the fully optimized molecular geometries and electronic structures of six 1,2,3- and 1,2,4-triazoles were calculated using density functional theory B3LYP/6-311G^＊＊ method. The salvation energies were obtained by SCRF in THF. The results show that the total energies of F are the lowest both in gas and liquid phases, and the order of thermodynamic stabilities of the title compounds is F〉D〉C〉B〉E〉A. Their frontier orbital energy gaps and electron delocalization also support that F is the most stable. All the computed conclusions are in good agreement with the experiments. Vibrational frequencies of the title compounds were computed. The thermodynamic properties and their temperature curves of six compounds were obtained by using the statistical thermodynamic method with the temperature ranging from 200 to 1000 K.展开更多
The title compound, 4-salicylimine-3, 5-bis(2-hydroxyphenyl)-1, 2, 4-triazole, was obtained by the condensation reaction of 4-amino-3, 5-bis(2-hydroxyphenyl)-1, 2, 4-triazole with salicylaldehyde in methanol. The crys...The title compound, 4-salicylimine-3, 5-bis(2-hydroxyphenyl)-1, 2, 4-triazole, was obtained by the condensation reaction of 4-amino-3, 5-bis(2-hydroxyphenyl)-1, 2, 4-triazole with salicylaldehyde in methanol. The crystal structure (C21H16N4O3, Mr = 372.38) belongs to monoclinic system, space group P21/n with a = 10.507(2), b = 16.878(3), c = 11.199(2) ? = 110.86(3), V = 1855.9(6) ?, Z = 4, Dc = 1.333 g/cm3, F(000) = 776, (MoK? = 0.092 mm-1, R = 0.0552 and wR = 0.1095 for 1920 reflections ( I > 2.0(I) ). The analytical results of crystal structure show that there are two different non-covalent interactions in the compound. One is hydrogen bond, and the other p-p stacking interaction. These two types of non-covalent interactions play an important role in the packing of crystal.展开更多
Novel tricyclic fluoroquinolones,[1,2,4]triazolo[3,4-h][1,8]naphthyridine-8-one-7-carboxylic acid derivatives 4a-4h bearing carrying a functional Mannich-base moiety at the C-8 position,were synthesized and evaluated ...Novel tricyclic fluoroquinolones,[1,2,4]triazolo[3,4-h][1,8]naphthyridine-8-one-7-carboxylic acid derivatives 4a-4h bearing carrying a functional Mannich-base moiety at the C-8 position,were synthesized and evaluated for their antimicrobial activity.The results showed that some compounds with a piperazine side chain exhibited comparable or better antibacterial activity than comparator cirprofloxacin.Furthermore,the targeted compounds also displayed a broad spectrum of activity against resistant strains including both Gram-negative and Gram-positive bacteria.In particular,compound 4h showed an MIC of 0.25 μg/mL in antibacterial assay against multiple drug-resistant Escherichia coli,which represents an about 30-fold increase of potency compared to ciprofloxacin.Thus,their excellent antibacterial activity against resistant strains suggests that triazole-fused fluoroquinolones warrant further optimization as novel anti-infective chemotherapies.展开更多
The title compound 1,4-bis(1H-1,2,4-triazol-1-methyl)benzene has been synthesized and its structure was determined by single-crystal X-ray diffraction. Crystal data: C12H12N6, mono- clinic, space group P21/n, a = 4.56...The title compound 1,4-bis(1H-1,2,4-triazol-1-methyl)benzene has been synthesized and its structure was determined by single-crystal X-ray diffraction. Crystal data: C12H12N6, mono- clinic, space group P21/n, a = 4.567(2), b = 13.695(5), c = 9.376(9) ? b = 94.221(7)o, V = 584.8(4) 3, Mr = 240.28, Z = 2, Dc = 1.364 g/cm3, F(000) = 252, m(MoKa) = 0.090 mm-1, the final R = 0.0493 and wR = 0.1051 for 1254 observed reflections (I > 2s(I)). The molecule has a symmetry center which locates at the center of the phenyl ring. The dihedral angle between the planes of triazole and phenyl rings is 77.81(9)o.展开更多
Reaction of ZnCI2 and 4-amino-3,5-propyl-1,2,4-triazole （dpatrz） or CdC12, NaN3 and dpatrz, in aqueous solution at room temperature yields two neutral clusters： a dinuclear complex [Zn2（dpatrz）2Ch] （I） and a li...Reaction of ZnCI2 and 4-amino-3,5-propyl-1,2,4-triazole （dpatrz） or CdC12, NaN3 and dpatrz, in aqueous solution at room temperature yields two neutral clusters： a dinuclear complex [Zn2（dpatrz）2Ch] （I） and a linear trinuclear complex, [Cd3（dpatrz）4（N3）2Cl4] （II）. Both complexes have been characterized by X-ray single-crystal diffraction, powder XRD, IR, elemental analysis, TG and fluorescence analysis. Complex I crystallizes in orthorhombic, space group Pbca with a = 11.865（2）, b = 14.464（3）, c = 15.985（3） A, V= 2743.4（9） A3, Z = 4, C16H32NsCI4Zn2, Mr = 609.4, Dc = 1.475 g.cm3, p = 2.16 mm-1, F（000） = 1248, GOOF = 1.091, the final R = 0.0295 and wR = 0.0665 for 1999 observed reflections （I 〉 2a（/））. Complex Ⅱcrystallizes in monoclinic, space group P2/c with a = 11.408（2）, b = 15.211（3）, c = 18.152（6） A, fl = 123.75（2）°, V = 2619.1（1） A3, Z = 2, C32H64N22ClaCd3, Mr = 1236.05, Dc = 1.567 g.cm3, p = 1.46 mm-1, F（000） = 1244, GOOF = 1.042, the final R = 0.0444 and wR = 0.0913 for 3466 observed reflections （I 〉 2a（/））. The analysis of X-ray revealed that both structures lie about the inversion centers： complex I adopts two pl,2-triazole bridges linking two Zn（II） ions and II forms a linear trinuclear structure with four μ1,2-triazoles and two/μIA-N3 bridging modes. There are different coordinated geometries for three Cd（II） ions in Ⅱ： one is coordinated with an octahedral environment, and the other two are distorted tetragonal pyramids （r = 0.34）. The hydrogen bonds of C-H...C1 and N-H...C1 lead to the discretes into a 3D supramolecular network in both compounds. The thermal stabilities and photoluminescence behaviors of them were also studied.展开更多
A novel zeolite-like metal-organic framework, [Cd12（trz）12＇F10＇（SiF6）3]·（H3O）4 （Htrz = 1,2,4-triazole）, has been synthesized under solvothermal conditions using 1H-l,2,4-triazole-3- carboxylic acid and ...A novel zeolite-like metal-organic framework, [Cd12（trz）12＇F10＇（SiF6）3]·（H3O）4 （Htrz = 1,2,4-triazole）, has been synthesized under solvothermal conditions using 1H-l,2,4-triazole-3- carboxylic acid and CdF2 as the starting materials. The complex has been characterized by elemental analysis, IR, SEM-EDS, gas adsorption, powder and single-crystal X-ray diffraction analyses. The title complex crystallizes in the cubic 1-43m space group, with a = 14.6436（8）, V= 3140.1（3）A3, Z = 2, Mr = 2857.96, D,.= 3.023 g/cm3 and F（000） = 2668. The final R = 0.0653 and wR = 0.1880 for 586 observed reflections with 1 〉 2σ（I）. In the title complex, three adjacent Cd（ll） centers are connected by three p3-bridging triazole ligands to form triagonal secondary building units （SBUs）, which are further interconnected to form a three-dimensional skeleton with tetrahedral cages.展开更多
基金Supported by NNSFC(No.21171129 and 21173157)the Program for Innovative Research Team in University of Tianjin(TD52-5038)Tianjin Educational Committee(2012ZD01)
文摘A new magnetic MOF with cyclic triazolate and linear azido mediators, [Co2（trz）3fN3）], 1 （trz- = 1,2,4-triazolate）, was hydrothermally synthesized and structurally and magnetically characterized. 1 crystallizes in the rhombohedral P63/mmc space group with a = b = 10.0716（17）, c = 7.5860（14） A, V = 666.4（2） A3, Dc = 1.814 g/cm3, Mr = 364.09, Z = 2, F（000） = 360,μ = 2.499 mm-1, the final R = 0.0676 and wR = 0.1952 for 229 observed reflections with 1 〉 20（/）. Complex 1 consists of linear {Co（trz）3}n chains passing through a C6 rotation axis, which are interconnected with tetrahedral Con ion by μ3-trz- ligands into a hexagonal three-dimensional antiferromagnetic framework.
基金supported by the Shanghai Leading Academic Discipline Project ( No. B108)
文摘A novel three-dimensional （3D） silver（I） coordination polymer, namely [Ag2（dmtrz）2]n （1） （Hdmtrz=3,5-dimethyl-1H,1,2,4-triazole）, was synthesized through diffusion method. 1 was characterized by elemental analysis, FT-IR spectroscopy, thermogravimetric analysis （TGA） and single-crystal X-ray diffraction. 1 crystallizes in the orthorhombic system, space group Iba2 with a=12.5026（10）, b=7.6026（6）, c=18.8981（17）, V=1796.3（3）3, Z=6, Mr=407.98, Dc=2.263 g·cm-3, μ=3.252 mm-1, F（000）=1176, the final R=0.0304 and wR=0.0634 for 1310 observed reflections （I 〉 2σ（I））. In the structure of 1, silver（I） centers are triconnected to dmtrz ligands, forming the （3,3）-connected 3D coordination polymer with a 6.102 topology. The luminescence property of 1 was also studied in solid state at room temperature.
基金the National Key Research and Development Program of China(2022YFD1700204)the Open Fund of State Key Laboratory of Green Pesticide by South China Agricultural University(gplscau202415)the National Natural Science Foundation of China(22477040).
文摘Currently,triazole sulfonamide fungicide could be used to effectively control cucumber downy mildew(CDM),caused by Pseudoperonospora cubensis.In this study,a series of triazole sulfonamide derivatives containing diphenyl ether(DE)fragment were designed and synthesized.All target compounds were evaluated for their fungicidal activity against four oomycete diseases.Compound 10b showed the best activity against CDM with 40%control efficacy at 0.78 mg/L,which was the same as amisulbrom.Meanwhile,compounds 10d and 10h showed good inhibitory activity against Peronophythora litchii and compounds 10e,10f,10l and 10q showed good inhibitory activity against Phytophthora infestans.The results of computational chemistry showed that compound 10b had the same binding mode as amisulbrom and formed hydrogen bonds with the residues Gln9,His189 and Ash217.Compound 10b could be further investigated as a potential fungicide candidate.This study also provides a useful optimization strategy for the design of novel fungicides against CDM.
文摘Eleven 1-(1H-1,2,4-triazole)-2-(2,4-diflurophenyl)-3-(N-methyl-N-substituted benzylamino)-2-propanols were designed and synthesized, on the basis of the crystal structure of P450 cytochrome 14α-sterol demethylase(CYP51) and the docking results of inhibitors to the active site of the enzyme. All title compounds were first by reported. Results of preliminary biological tests showed that most of title compounds exhibited activity against the seven common pathogenic fungi. Compound 11 showed best antifungal activity with broad antifungal spectrum and proved to be more active against Cryptococcus neoformans, Candida albicans, Microsporum lanosum and Trichophyton rubrum than ketoconazole. Compounds 3, 10 and 4 also had high activities.
文摘The synthesis and structures of two novel zwitterionic ruthenium triazolato complexes are reported. The treatment of the ruthenium azido complex [Ru]-N3 (1, [Ru] = (η5-C5H5)(dppe)Ru, dppe = Ph2PCH2CH2PPh2) with an excess of ethyl propiolate in CHCl3 or CH2Cl2 under ambient conditions for 15 days results in the formation of a mixture of the Z- and E-forms of N(1)-bound ruthenium 3-ethylacryl-4-carboxylate-3H-1,2,3-triazolato complexes [Ru]N3(CH=CHCO2Et)C2H(CO2) (Z-3) and (E-3) in a ratio of ca. 5:2. The structures of E-3 and Z-3 were confirmed by single-crystal X-ray diffraction analysis and fully characterized by 1H, 31P, 13C NMR and IR spectroscopy, mass spectrometry, and elemental analysis. The negatively charged carboxylate moieties of the zwitterionic ruthenium triazolato complexes Z-3 and Z-3 are highly nucleophilic and reactive toward a variety of electrophiles, making Z-3 and Z-3 potential starting materials for the development of biologically active 1,2,3-triazole derivatives.
文摘Seven podophyllotoxin analogues were synthesized by condensation of 4′ demethyl epipodophyllotoxin 10 with 5 alkyl 4 amino 3 mercapto 1,2,4 triazoles 9(a g) in the presence of TFA(CF 3COOH). Their antitumor activities were screened in vitro against HL 60 and K 562 cells.
基金the National Natural Science Foundation of China(No.10576007)for financial support for this work.
文摘The reaction of 4-amino-l,2,4-triazole with sodium dichloroisocyanurate （SDCI） afforded new tetrazene（N-N=N-N）-linked bi（1,2,4-triazole） 2a in excellent yield. Increasing the molar ratio of SDCI to 4-amino- 1,2,4-triazole, the chlorinated product 1,5,5＇- trichloro-4,4＇-azo-1,2,4-triazole （2b） was formed. These new compounds have been characterized by MS, ^1H NMR, ^13C NMR, and elemental analysis.
基金We are grateful for the financial support from the National Natural Science Foundation of China(29971001,20031010)the Naturai Science Foundation of Anhui Province(0045115)the Science Foundation for Excellent Young Teachers of Universities of Anhui Province(01080309).
文摘The synthesis and surfactant activities of two new cationic gemini surfactants containing triazole compound as spacer were described. Their critical micelle concentrations (CMC), which are 1.8×10-4 mol/L and 3.9×10-4 mol/L respectively, are much lower than that of conventional surfactant cetyltrimethyl ammonium chloride (CTAC). In addition, compared with some gemini surfactants containing phenylene, xylylene and stilbenyl as spacer, this new kind of surfactants has good solubility in water at room temperature because of containing more hydrophilic groups or atoms in molecules.
基金supported by the National Natural Science Foundation of China(No.30070861)the Science Foundation of Henan University(XK02041).
文摘To find new structural leading compounds for the research of the multidrug resistant of antibacterial agents, five novel 8-substituted phenyl-1-pyridin-3-yl-5H-bis[1, 2, 4] triazolo[3, 4-b; 4′, 3′-d] thiadiazines were prepared from the corresponding intermediates of 3-(5-substituted phenyl[1,3,4]oxadiazol-2-ylmethylsulfanyl)-5-pyridin-3-yl-[1,2,4]triazol-4-ylamines via intramole- cular cyclization and the antibacterial activity in vitro against Gram-postive (G+) and Gram negative (G-) bacteria was primarily evaluated.
文摘In this short review, excerpts from the literature of azo-bridged triazoles(mainly 1,2,4-triazoles), some of their derivatives(chloromethyl,dinitro and trinitro pyrazole substituted ones, etc.) and some of their salts, have been presented focusing on the most recent investigations. These classes of compounds, known as high nitrogen compounds, are generally high energy density materials. Therefore, if available some of their ballistic properties were included.
文摘A series of novel 3-alkylthio-4-arylideneamino-5-(2-furyl)-1, 2, 4-triazole derivatives were synthesized. Their chemical structures were confirmed with elemental analysis and spectral data. Endothelin(ET) receptor competitive binding assay showed that some compounds exhibited high selective as potent ET-1 receptor antagonist.
基金We are thankful to the NSAF(No.U1830134)NSFC(No.21905023 and 22175025)+1 种基金State Key Laboratory of Explosion Science and Technology(No.YBKT21-02)Open Research Fund Program of CAS Key Laboratory of Energy Regulation Materials(No.ORFP2020-01)for their generous financial support.
文摘This review covers recent advances in the synthesis and energetic performance of nitrogen-rich 1,2,4-oxadiazole-azoles-based energetic materials.These materials comprise of 1,2,4-oxadiazole subunit as a key structural motif linked to different nitrogen-rich or nitrogen-oxygen azoles:tetrazole,furazan,furoxan,1,3,4-oxadiazole,pyrazole,and triazole.Particular attention is devoted to the introduction of various energetic groups including nitro,nitramino,azo,azoxy,dinitromethyl,trinitroethyl moieties,and their combination.The physicochemical and available performance parameters including density,decomposition temperature,heat of formation,detonation pressure,detonation velocity,impact sensitivity,and friction sensitivity of typical energetic compounds are also provided and analyzed.Eventually,it was obtained that several screened compounds exhibit superior detonation properties and outstanding insensitivities,which can be classified as a new family of high-performance energetic materials.Additionally,1,2,4-oxadiazole-azoles-based energetic materials still have many thorough works to further exploited and studied,expecting to get very promising insensitive high explosives for practical application and industrialization.
基金supported by the National Natural Science Foundation of China(No.20772153)by Shanghai Leading Academic Discipline Project(No.B906).
文摘A series of 1-（1H-1,2,4-triazole-1-yl）-2-（2,4-difluoropheny1）-3-（N-isoproy1-N-substituted-amino）-2-propanols have been designed and synthesized on the basis of the active site of lanosterol 14a-demethylase （CYP51）. Their structures were confirmed by MS and ^1H NMR. In vitro antifungal activities of these synthesized compounds were evaluated against eight human pathogenic fungi. The results showed that all title compounds exhibited activity against fungi tested to some extent. Compounds 3c, 3d, 7a, 7b and 7e exhibited more potent antifungal activities against nearly all fungi tested except AspergiUus fumigatus than fluconazole. ？2009 Qiu Ye Wu. Published by Elsevier B.V. on behalf of Chinese Chemical Society. All fights reserved.
基金supported by the National Natural Science Foundation of China (No. 21372133)‘‘111’’ Project of Ministry of Education of China (No. B06005)
文摘A series of fluorine- and piperazine-containing 1,2,4-triazole thione derivatives were synthesized by the Mannich reaction of triazole intermediates with various substituted piperazines and formaldehyde in high yields. Structures of title compounds were confirmed by melting points, IR,~1H NMR,^（13）C NMR and elemental analysis. The preliminary bioassays for 17 novel title compounds showed that several compounds have significant fungicidal activity against Cercospora arachidicola, Physalospora piricola and Rhizoctonia cerealis at 50 mg/m L.
基金This work was supported by the Key National Natural Science Foundation of China (No. 10576030)
文摘In this paper, the fully optimized molecular geometries and electronic structures of six 1,2,3- and 1,2,4-triazoles were calculated using density functional theory B3LYP/6-311G^＊＊ method. The salvation energies were obtained by SCRF in THF. The results show that the total energies of F are the lowest both in gas and liquid phases, and the order of thermodynamic stabilities of the title compounds is F〉D〉C〉B〉E〉A. Their frontier orbital energy gaps and electron delocalization also support that F is the most stable. All the computed conclusions are in good agreement with the experiments. Vibrational frequencies of the title compounds were computed. The thermodynamic properties and their temperature curves of six compounds were obtained by using the statistical thermodynamic method with the temperature ranging from 200 to 1000 K.
文摘The title compound, 4-salicylimine-3, 5-bis(2-hydroxyphenyl)-1, 2, 4-triazole, was obtained by the condensation reaction of 4-amino-3, 5-bis(2-hydroxyphenyl)-1, 2, 4-triazole with salicylaldehyde in methanol. The crystal structure (C21H16N4O3, Mr = 372.38) belongs to monoclinic system, space group P21/n with a = 10.507(2), b = 16.878(3), c = 11.199(2) ? = 110.86(3), V = 1855.9(6) ?, Z = 4, Dc = 1.333 g/cm3, F(000) = 776, (MoK? = 0.092 mm-1, R = 0.0552 and wR = 0.1095 for 1920 reflections ( I > 2.0(I) ). The analytical results of crystal structure show that there are two different non-covalent interactions in the compound. One is hydrogen bond, and the other p-p stacking interaction. These two types of non-covalent interactions play an important role in the packing of crystal.
基金support provided by the National Natural Science Foundation of China(Nos.20872028 and 21072045)
文摘Novel tricyclic fluoroquinolones,[1,2,4]triazolo[3,4-h][1,8]naphthyridine-8-one-7-carboxylic acid derivatives 4a-4h bearing carrying a functional Mannich-base moiety at the C-8 position,were synthesized and evaluated for their antimicrobial activity.The results showed that some compounds with a piperazine side chain exhibited comparable or better antibacterial activity than comparator cirprofloxacin.Furthermore,the targeted compounds also displayed a broad spectrum of activity against resistant strains including both Gram-negative and Gram-positive bacteria.In particular,compound 4h showed an MIC of 0.25 μg/mL in antibacterial assay against multiple drug-resistant Escherichia coli,which represents an about 30-fold increase of potency compared to ciprofloxacin.Thus,their excellent antibacterial activity against resistant strains suggests that triazole-fused fluoroquinolones warrant further optimization as novel anti-infective chemotherapies.
基金The project was supported by the Natural Science Foundation of University of Jiangsu Province (No. 03KJB150118)
文摘The title compound 1,4-bis(1H-1,2,4-triazol-1-methyl)benzene has been synthesized and its structure was determined by single-crystal X-ray diffraction. Crystal data: C12H12N6, mono- clinic, space group P21/n, a = 4.567(2), b = 13.695(5), c = 9.376(9) ? b = 94.221(7)o, V = 584.8(4) 3, Mr = 240.28, Z = 2, Dc = 1.364 g/cm3, F(000) = 252, m(MoKa) = 0.090 mm-1, the final R = 0.0493 and wR = 0.1051 for 1254 observed reflections (I > 2s(I)). The molecule has a symmetry center which locates at the center of the phenyl ring. The dihedral angle between the planes of triazole and phenyl rings is 77.81(9)o.
基金Supported by the National Natural Science Foundation of China(No.21271121)SRFDP(No.20111401110002)Shanxi Scholarship Council of China(2013-026)
文摘Reaction of ZnCI2 and 4-amino-3,5-propyl-1,2,4-triazole （dpatrz） or CdC12, NaN3 and dpatrz, in aqueous solution at room temperature yields two neutral clusters： a dinuclear complex [Zn2（dpatrz）2Ch] （I） and a linear trinuclear complex, [Cd3（dpatrz）4（N3）2Cl4] （II）. Both complexes have been characterized by X-ray single-crystal diffraction, powder XRD, IR, elemental analysis, TG and fluorescence analysis. Complex I crystallizes in orthorhombic, space group Pbca with a = 11.865（2）, b = 14.464（3）, c = 15.985（3） A, V= 2743.4（9） A3, Z = 4, C16H32NsCI4Zn2, Mr = 609.4, Dc = 1.475 g.cm3, p = 2.16 mm-1, F（000） = 1248, GOOF = 1.091, the final R = 0.0295 and wR = 0.0665 for 1999 observed reflections （I 〉 2a（/））. Complex Ⅱcrystallizes in monoclinic, space group P2/c with a = 11.408（2）, b = 15.211（3）, c = 18.152（6） A, fl = 123.75（2）°, V = 2619.1（1） A3, Z = 2, C32H64N22ClaCd3, Mr = 1236.05, Dc = 1.567 g.cm3, p = 1.46 mm-1, F（000） = 1244, GOOF = 1.042, the final R = 0.0444 and wR = 0.0913 for 3466 observed reflections （I 〉 2a（/））. The analysis of X-ray revealed that both structures lie about the inversion centers： complex I adopts two pl,2-triazole bridges linking two Zn（II） ions and II forms a linear trinuclear structure with four μ1,2-triazoles and two/μIA-N3 bridging modes. There are different coordinated geometries for three Cd（II） ions in Ⅱ： one is coordinated with an octahedral environment, and the other two are distorted tetragonal pyramids （r = 0.34）. The hydrogen bonds of C-H...C1 and N-H...C1 lead to the discretes into a 3D supramolecular network in both compounds. The thermal stabilities and photoluminescence behaviors of them were also studied.
基金National Natural Science Foundation of China(21101090)Natural Science Foundation of Jiangxi Province(20114BAB213001)Education Department of Jiangxi Province(GJJ12041)
文摘A novel zeolite-like metal-organic framework, [Cd12（trz）12＇F10＇（SiF6）3]·（H3O）4 （Htrz = 1,2,4-triazole）, has been synthesized under solvothermal conditions using 1H-l,2,4-triazole-3- carboxylic acid and CdF2 as the starting materials. The complex has been characterized by elemental analysis, IR, SEM-EDS, gas adsorption, powder and single-crystal X-ray diffraction analyses. The title complex crystallizes in the cubic 1-43m space group, with a = 14.6436（8）, V= 3140.1（3）A3, Z = 2, Mr = 2857.96, D,.= 3.023 g/cm3 and F（000） = 2668. The final R = 0.0653 and wR = 0.1880 for 586 observed reflections with 1 〉 2σ（I）. In the title complex, three adjacent Cd（ll） centers are connected by three p3-bridging triazole ligands to form triagonal secondary building units （SBUs）, which are further interconnected to form a three-dimensional skeleton with tetrahedral cages.
