A novel 1,4,5-trisubstituted 1,2,3-triazole（C18H21N3O3） was synthesized by a one-pot three component reaction of 1-azidocyclohexane, 1-copper（I） phenylethyne and ethoxalyl chloride at room temperature. The molecul...A novel 1,4,5-trisubstituted 1,2,3-triazole（C18H21N3O3） was synthesized by a one-pot three component reaction of 1-azidocyclohexane, 1-copper（I） phenylethyne and ethoxalyl chloride at room temperature. The molecular structure was determined by single-crystal X-ray analysis. The compound crystallizes in the monoclinic system, space group P21/n with a = 12.8167（9）, b = 8.0966（6）, c = 16.7079（9） A, β = 98.716（2）°, Z = 4 and V = 1713.8（2）. In the crystal, the molecules are related by inversion and paired into dimers via C–H…O and C–O…C interactions involving（oxo） acetate groups. Furthermore, X-ray analysis results are compared with the optimized structure computed by using B3 LYP method with 6-311 G basis set. The calculated results showed that optimized geometry can well reproduce the crystal structure parameters. The bioassay results indicate that the compound has good antibacterial and antifungal activities.展开更多
Thirteen new ethyl 2-（N-substituted-arylsulfonamido）-2-oxoacetates（3a-3m）, based on the structure of Ketol-acid reductoisomerase（KARI） inhibitor IpOHA, were designed and synthesized. Their structures were establ...Thirteen new ethyl 2-（N-substituted-arylsulfonamido）-2-oxoacetates（3a-3m）, based on the structure of Ketol-acid reductoisomerase（KARI） inhibitor IpOHA, were designed and synthesized. Their structures were established on the basis of ^1H NMR, IR, MS, and elemental analyses. The bioassay result reveals that the structural changes from hydroxyl group on the N atom of IpOHA to arylsulfonyl groups does not enhance the inhibitory activity of the compounds to KARI in vitro. Compounds 3c, 3h, 3k, and 3m are more effective than IpOHA against the monocotyledonous bamygrass at 100 ug/mL in herbicidal tests.展开更多
基金supported by Higher Education Commission(HEC)Govt.of Pakistan
文摘A novel 1,4,5-trisubstituted 1,2,3-triazole（C18H21N3O3） was synthesized by a one-pot three component reaction of 1-azidocyclohexane, 1-copper（I） phenylethyne and ethoxalyl chloride at room temperature. The molecular structure was determined by single-crystal X-ray analysis. The compound crystallizes in the monoclinic system, space group P21/n with a = 12.8167（9）, b = 8.0966（6）, c = 16.7079（9） A, β = 98.716（2）°, Z = 4 and V = 1713.8（2）. In the crystal, the molecules are related by inversion and paired into dimers via C–H…O and C–O…C interactions involving（oxo） acetate groups. Furthermore, X-ray analysis results are compared with the optimized structure computed by using B3 LYP method with 6-311 G basis set. The calculated results showed that optimized geometry can well reproduce the crystal structure parameters. The bioassay results indicate that the compound has good antibacterial and antifungal activities.
基金the National Basic Research Program of China(No.2003CB114406)Tianjin Natural Science Founda- tion(No.08JCYBJ00800)
文摘Thirteen new ethyl 2-（N-substituted-arylsulfonamido）-2-oxoacetates（3a-3m）, based on the structure of Ketol-acid reductoisomerase（KARI） inhibitor IpOHA, were designed and synthesized. Their structures were established on the basis of ^1H NMR, IR, MS, and elemental analyses. The bioassay result reveals that the structural changes from hydroxyl group on the N atom of IpOHA to arylsulfonyl groups does not enhance the inhibitory activity of the compounds to KARI in vitro. Compounds 3c, 3h, 3k, and 3m are more effective than IpOHA against the monocotyledonous bamygrass at 100 ug/mL in herbicidal tests.
