4-Fluoro-5-(4-methyl-piperidin-1-yl)-2-nitro-phenylamine | 413597-28-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: 4-Fluoro-5-(4-methyl-piperidin-1-yl)-2-nitro-phenylamine
• 英文别名: 4-fluoro-5-(4-methylpiperidin-1-yl)-2-nitroaniline
• CAS: 413597-28-1
• 化学式: C₁₂H₁₆FN₃O₂
• 分子量: 253.276
• InChiKey: MKXHJSQWAQAFBU-UHFFFAOYSA-N

物化性质

• 沸点：
  442.5±45.0 °C(Predicted)
• 密度：
  1.266±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.55
• 重原子数：
  18.0
• 可旋转键数：
  2.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  72.4
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  4-Fluoro-5-(4-methyl-piperidin-1-yl)-2-nitro-phenylamine 在 盐酸 、 tin(ll) chloride 作用下， 反应 0.5h， 生成 4-Fluoro-5-(4-methyl-piperidin-1-yl)-benzene-1,2-diamine
  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：

  4-甲基哌啶 、 5-氯-4-氟-2-硝基苯胺 在 三乙胺 作用下， 以61%的产率得到4-Fluoro-5-(4-methyl-piperidin-1-yl)-2-nitro-phenylamine
  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

• Chawala, Pooja; Chawla; Saraf, Shubhini A., Indian Journal of Heterocyclic Chemistry, 2011, vol. 20, # 4, p. 399 - 400
  作者：Chawala, Pooja、Chawla、Saraf, Shubhini A.、Saraf

  DOI：——

  日期：——
• 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.