4-(5-(difluoromethyl)-2-methyl-1H-imidazol-1-yl)benzonitrile | 1002107-49-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 4-(5-(difluoromethyl)-2-methyl-1H-imidazol-1-yl)benzonitrile
• 英文别名: 4-[5-(Difluoromethyl)-2-methylimidazol-1-yl]benzonitrile
• CAS: 1002107-49-4
• 化学式: C₁₂H₉F₂N₃
• 分子量: 233.22
• InChiKey: TVVKWMCHVCWESD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  17
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  41.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  1-(4-氰基苯基)-2-甲基-1H-咪唑-5-甲醛 在 二乙胺基三氟化硫 作用下， 以 二氯甲烷 为溶剂， 反应 24.0h， 以95%的产率得到4-(5-(difluoromethyl)-2-methyl-1H-imidazol-1-yl)benzonitrile
  参考文献：
  名称：

  Synthesis and evaluation of new difluoromethyl azoles as antileishmanial agents

  摘要：

  Several compounds of great pharmacological interest contain the triazole and imidazole rings. In order to find new drugs with antileishmanial activity we have synthesized and evaluated new imidazole and triazole compounds carrying either the carbaldehyde or the difluoromethylene functionalities against promastigote forms of Leishmania amazonensis. Among the compounds tested difluoromethylene azoles 4b and 8f have inhibited the parasite growth significantly. Our results show that the introduction of the difluoromethylene moieties has turned the inactive carbaldehydes into active antileishmanial compounds. (C) 2007 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2007.02.020

文献信息

• Synthesis and evaluation of new difluoromethyl azoles as antileishmanial agents
  作者：Sabrina B. Ferreira、Marilia S. Costa、Núbia Boechat、Rômulo J.S. Bezerra、Marcelo S. Genestra、Marilene M. Canto-Cavalheiro、Warner B. Kover、Vitor F. Ferreira

  DOI：10.1016/j.ejmech.2007.02.020

  日期：2007.11

  Several compounds of great pharmacological interest contain the triazole and imidazole rings. In order to find new drugs with antileishmanial activity we have synthesized and evaluated new imidazole and triazole compounds carrying either the carbaldehyde or the difluoromethylene functionalities against promastigote forms of Leishmania amazonensis. Among the compounds tested difluoromethylene azoles 4b and 8f have inhibited the parasite growth significantly. Our results show that the introduction of the difluoromethylene moieties has turned the inactive carbaldehydes into active antileishmanial compounds. (C) 2007 Elsevier Masson SAS. All rights reserved.