1-乙基-2-三氟甲基-5-氨基苯并咪唑 | 1019108-00-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 中文名称: 1-乙基-2-三氟甲基-5-氨基苯并咪唑
• 英文名称: 1-ethyl-2-trifluoromethyl-5-aminobenzimidazole
• 英文别名: 1-ethyl-2-(trifluoromethyl)-1H-benzimidazol-5-amine；1-ethyl-2-(trifluoromethyl)benzimidazol-5-amine
• CAS: 1019108-00-9
• 化学式: C₁₀H₁₀F₃N₃
• 分子量: 229.205
• InChiKey: MWBBSOFPIYUTMQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  43.8
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2,4-二硝基-N-乙基苯胺 在 palladium on activated charcoal 、 水 、 一水合肼 、 sodium hydroxide 作用下， 以 乙醇 为溶剂， 反应 7.0h， 生成 1-乙基-2-三氟甲基-5-氨基苯并咪唑
  参考文献：
  名称：

  Design and synthesis of positional isomers of 1-alkyl-2-trifluoromethyl-5 or 6-substituted benzimidazoles and their antimicrobial activity

  摘要：

  A series of novel positional isomers of 1-alkyl-2-trifluoromethyl benzimidazole derivatives 3a-j and 4a-j have been synthesized and screened for antibacterial activity against gram positive bacteria viz, Bacillus subtilis, Staphylococcus aureus and gram negative bacteria viz., Escherichia coli, Pseudomonas aeruginosa and antifungal activity against Candida albicans, Aspergillus niger, Rhizopus oryzae and Saccharomyces cerevisiae. Results indicate that compounds 3b, 4b were having promising antibacterial and antifungal activity.

  DOI：

  10.1007/s00044-012-0131-x

文献信息

• US7709518B2
  申请人：——

  公开号：US7709518B2

  公开（公告）日：2010-05-04
• Design and synthesis of positional isomers of 1-alkyl-2-trifluoromethyl-5 or 6-substituted benzimidazoles and their antimicrobial activity
  作者：G. Sathaiah、A. Ravi Kumar、A. Chandra Shekhar、K. Raju、P. Shanthan Rao、B. Narsaiah、A. Raghuram Reddy、D. Lakshmi、B. Sridhar

  DOI：10.1007/s00044-012-0131-x

  日期：2013.3

  A series of novel positional isomers of 1-alkyl-2-trifluoromethyl benzimidazole derivatives 3a-j and 4a-j have been synthesized and screened for antibacterial activity against gram positive bacteria viz, Bacillus subtilis, Staphylococcus aureus and gram negative bacteria viz., Escherichia coli, Pseudomonas aeruginosa and antifungal activity against Candida albicans, Aspergillus niger, Rhizopus oryzae and Saccharomyces cerevisiae. Results indicate that compounds 3b, 4b were having promising antibacterial and antifungal activity.