Ethyl 2-[1-cyclopropyl-5-fluoro-6-(3-methylpiperidin-1-yl)benzimidazol-2-yl]acetate | 413597-45-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 英文名称: Ethyl 2-[1-cyclopropyl-5-fluoro-6-(3-methylpiperidin-1-yl)benzimidazol-2-yl]acetate
• CAS: 413597-45-2
• 化学式: C₂₀H₂₆FN₃O₂
• 分子量: 359.444
• InChiKey: MSRHNZRXBKWCGE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  26
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  47.4
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  N,N-二甲基乙二胺 、 Ethyl 2-[1-cyclopropyl-5-fluoro-6-(3-methylpiperidin-1-yl)benzimidazol-2-yl]acetate 反应 7.0h， 以25%的产率得到2-[1-cyclopropyl-5-fluoro-6-(3-methylpiperidin-1-yl)benzimidazol-2-yl]-N-[2-(dimethylamino)ethyl]acetamide
  参考文献：
  名称：

  Synthesis and antimicrobial activities of 5-fluoro-1,2,6-trisubstituted benzimidazole carboxamide and acetamide derivatives

  摘要：

  Some 5-fluoro-6-substitute-1H-benzimidazole-2-carbamates (12a-e), 5-fluoro-6-substituted 1H-benzimidazole-2-acetate (13a-e) and 2-acetamide (14a-f) derivatives, 2-acetamido-5-fluoro-6-(morpholin-4-yl)-1-propyl-1H-benzimidazole (15), and 1-cyclopropyl-2-ethyl-5-fluoro-6-(4-methylpiperazin-1-yl)-1H-benzimidazole (16) were synthesized, and their antimicrobial and antifungal activities evaluated. Compound 12c exhibited the best activity against Candida albicans.

  DOI：

  10.1002/1521-4184(200112)334:11<361::aid-ardp361>3.0.co;2-9
• 作为产物：
  描述：

  5-chloro-n-cyclopropyl-4-fluoro-2-nitroaniline 在 10% palladium on active carbon 氢气 、 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 7.0h， 生成 Ethyl 2-[1-cyclopropyl-5-fluoro-6-(3-methylpiperidin-1-yl)benzimidazol-2-yl]acetate
  参考文献：
  名称：

  Synthesis and antimicrobial activities of 5-fluoro-1,2,6-trisubstituted benzimidazole carboxamide and acetamide derivatives

  摘要：

  Some 5-fluoro-6-substitute-1H-benzimidazole-2-carbamates (12a-e), 5-fluoro-6-substituted 1H-benzimidazole-2-acetate (13a-e) and 2-acetamide (14a-f) derivatives, 2-acetamido-5-fluoro-6-(morpholin-4-yl)-1-propyl-1H-benzimidazole (15), and 1-cyclopropyl-2-ethyl-5-fluoro-6-(4-methylpiperazin-1-yl)-1H-benzimidazole (16) were synthesized, and their antimicrobial and antifungal activities evaluated. Compound 12c exhibited the best activity against Candida albicans.

  DOI：

  10.1002/1521-4184(200112)334:11<361::aid-ardp361>3.0.co;2-9

文献信息

• Synthesis and antimicrobial activities of 5-fluoro-1,2,6-trisubstituted benzimidazole carboxamide and acetamide derivatives
  作者：Canan Kus、Hakan Göker、Nurten Altanlar

  DOI：10.1002/1521-4184(200112)334:11<361::aid-ardp361>3.0.co;2-9

  日期：2001.12

  Some 5-fluoro-6-substitute-1H-benzimidazole-2-carbamates (12a-e), 5-fluoro-6-substituted 1H-benzimidazole-2-acetate (13a-e) and 2-acetamide (14a-f) derivatives, 2-acetamido-5-fluoro-6-(morpholin-4-yl)-1-propyl-1H-benzimidazole (15), and 1-cyclopropyl-2-ethyl-5-fluoro-6-(4-methylpiperazin-1-yl)-1H-benzimidazole (16) were synthesized, and their antimicrobial and antifungal activities evaluated. Compound 12c exhibited the best activity against Candida albicans.