Z-2-(1H-benzotriazol-1-yl)-3-(4-trifluoromethylphenyl)acrylonitrile

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: Z-2-(1H-benzotriazol-1-yl)-3-(4-trifluoromethylphenyl)acrylonitrile
• 英文别名: (Z)-2-(benzotriazol-1-yl)-3-[4-(trifluoromethyl)phenyl]prop-2-enenitrile
• 化学式: C₁₆H₉F₃N₄
• 分子量: 314.269
• InChiKey: ADOPZXGUZYIYDL-LCYFTJDESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  23
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  54.5
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  T406石油添加剂 在 三乙胺 作用下， 以 N,N-二甲基甲酰胺 、 甲苯 为溶剂， 反应 60.0h， 生成 Z-2-(1H-benzotriazol-1-yl)-3-(4-trifluoromethylphenyl)acrylonitrile
  参考文献：
  名称：

  Synthesis and antitubercular activity of 3-aryl substituted-2-(1H(2H)benzotriazol-1(2)-yl)acrylonitriles#1# Part of this work was presented as a poster communication at the 2nd European Symposium on Antimicrobial Agents, Hradec Kralove, Czech Republic, 1–4 July 1998.

  摘要：

  A series of 22 3-aryl substituted-2-(1H(2H)-benzotriazol-1(2)-yl)acrylonitriles was synthesized for a preliminary in vitro evaluation of antitubercular activity according to an international program with the Tuberculosis Antimicrobial Acquisition & Coordinating Facility (TAACF). This work reports the synthetic approach and analytical and spectroscopic characterization (UV, IR, H-1- and C-13-NMR) of all compounds synthesized. Several compounds showed an interesting activity in the preliminary screening with a percent growth inhibition of the virulent Mycobacterium tuberculosis between 40 and 99% at the concentration of 12.5 mu g/mL. The most effective derivatives E-5a and E-5e were also tested against M. avium in vitro. (C) 2000 Editions scientifiques et medicales Elsevier SAS.

  DOI：

  10.1016/s0223-5234(00)00144-6

文献信息

• Synthesis and antitubercular activity of 3-aryl substituted-2-(1H(2H)benzotriazol-1(2)-yl)acrylonitriles#1# Part of this work was presented as a poster communication at the 2nd European Symposium on Antimicrobial Agents, Hradec Kralove, Czech Republic, 1–4 July 1998.
  作者：Paolo Sanna、Antonio Carta、Mohammad E.Rahbar Nikookar

  DOI：10.1016/s0223-5234(00)00144-6

  日期：2000.5

  A series of 22 3-aryl substituted-2-(1H(2H)-benzotriazol-1(2)-yl)acrylonitriles was synthesized for a preliminary in vitro evaluation of antitubercular activity according to an international program with the Tuberculosis Antimicrobial Acquisition & Coordinating Facility (TAACF). This work reports the synthetic approach and analytical and spectroscopic characterization (UV, IR, H-1- and C-13-NMR) of all compounds synthesized. Several compounds showed an interesting activity in the preliminary screening with a percent growth inhibition of the virulent Mycobacterium tuberculosis between 40 and 99% at the concentration of 12.5 mu g/mL. The most effective derivatives E-5a and E-5e were also tested against M. avium in vitro. (C) 2000 Editions scientifiques et medicales Elsevier SAS.