匹莫苯丹(pimobendan,PMBD)是国家二类新兽药。但由于该药的原料药成本较高,不易合成,反应步骤多而限制了该药物的临床普遍应用。文中提出了一种新的8步合成匹莫苯丹的新方法,以乙酰苯胺作为原料,通过8个步骤合成匹莫苯丹。化合物的每...匹莫苯丹(pimobendan,PMBD)是国家二类新兽药。但由于该药的原料药成本较高,不易合成,反应步骤多而限制了该药物的临床普遍应用。文中提出了一种新的8步合成匹莫苯丹的新方法,以乙酰苯胺作为原料,通过8个步骤合成匹莫苯丹。化合物的每一步的产品纯度都可以达到95%以上,化合物的结构经核磁共振波谱(nuclear magnetic resonance hydrogen spectroscopy,NMR)和高分辨质谱(high resolution mass spectrometry,HRMS)确证。同时,新的方法条件温和,反应步骤少,操作简便,副反应少,纯度高,可以用于匹莫苯丹的放大合成。展开更多
National Pesticide Engineering Research Center,Nankai University,Tianjin3000 71)abstract:Chiral recognition is an attractive subject in the area of host-vip chemis try.Conformation study is per-formed to understand ...National Pesticide Engineering Research Center,Nankai University,Tianjin3000 71)abstract:Chiral recognition is an attractive subject in the area of host-vip chemis try.Conformation study is per-formed to understand chiral recognition of zinc porphyrin with imidazole derivatives on a molecular level.The molecular reco gnition of three novel chiral zinc porphyrin(1-3)abstract:with four types of imidazole d erivatives was stud-ied.The conformation searching of this host-vip system w as studied by using simulated annealing method on the basis of Tripos force fiel d.The different minimal energy conformation of imidazole combind with porphyrin was studied.The quantum chemistry calculation was performed to calculate the sin gle-point energies of the host-vip system.The minimal energy conformation of ZnT(o-BocAla)abstract:APP(3)abstract:-Im showed that Im attaching from the single-side chain o f the host had the reasonable configuration than that from the three-side chain .The former also had the lower energy than the latter.And the quantum chemistry calculation results of orbital energy,Δ E L-H ,and atomic net charge revealed the same way.The results illumate that combi nation oriention of the host-vip system is the single chain of the hosts.展开更多
文摘匹莫苯丹(pimobendan,PMBD)是国家二类新兽药。但由于该药的原料药成本较高,不易合成,反应步骤多而限制了该药物的临床普遍应用。文中提出了一种新的8步合成匹莫苯丹的新方法,以乙酰苯胺作为原料,通过8个步骤合成匹莫苯丹。化合物的每一步的产品纯度都可以达到95%以上,化合物的结构经核磁共振波谱(nuclear magnetic resonance hydrogen spectroscopy,NMR)和高分辨质谱(high resolution mass spectrometry,HRMS)确证。同时,新的方法条件温和,反应步骤少,操作简便,副反应少,纯度高,可以用于匹莫苯丹的放大合成。
文摘National Pesticide Engineering Research Center,Nankai University,Tianjin3000 71)abstract:Chiral recognition is an attractive subject in the area of host-vip chemis try.Conformation study is per-formed to understand chiral recognition of zinc porphyrin with imidazole derivatives on a molecular level.The molecular reco gnition of three novel chiral zinc porphyrin(1-3)abstract:with four types of imidazole d erivatives was stud-ied.The conformation searching of this host-vip system w as studied by using simulated annealing method on the basis of Tripos force fiel d.The different minimal energy conformation of imidazole combind with porphyrin was studied.The quantum chemistry calculation was performed to calculate the sin gle-point energies of the host-vip system.The minimal energy conformation of ZnT(o-BocAla)abstract:APP(3)abstract:-Im showed that Im attaching from the single-side chain o f the host had the reasonable configuration than that from the three-side chain .The former also had the lower energy than the latter.And the quantum chemistry calculation results of orbital energy,Δ E L-H ,and atomic net charge revealed the same way.The results illumate that combi nation oriention of the host-vip system is the single chain of the hosts.
