5-chloro-1-methyl-1H-indole-3-methanamine | 933688-72-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 5-chloro-1-methyl-1H-indole-3-methanamine
• 英文别名: (5-Chloro-1-methylindol-3-yl)methanamine；(5-chloro-1-methylindol-3-yl)methanamine
• CAS: 933688-72-3
• 化学式: C₁₀H₁₁ClN₂
• 分子量: 194.664
• InChiKey: QUOWGEOQXDLUCL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  31
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  3-(5-chloro-1-methylindol-3-yl)propanoic acid 、 5-chloro-1-methyl-1H-indole-3-methanamine 在 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 3.17h， 以63%的产率得到3-(5-chloro-1-methyl-1H-indol-3-yl)-N-((5-chloro-1-methyl-1H-indol-3-yl)methyl)propanamide
  参考文献：
  名称：

  Synthesis, characterization, and SAR studies of new (1H-indol-3-yl)alkyl-3-(1H-indol-3-yl)propanamide derivatives as possible antimicrobial and antitubercular agents

  摘要：

  In this article, we report herein the SAR studies of a series of (1H-indol-3-yl)alkyl-3-(1H-indol-3-yl)propanamide 10(a-j), 11(a-j). The synthesized compounds were evaluated for their preliminary in vitro antibacterial, antifungal activity and were screened for antitubercular activity against Mycobacterium tuberculosis H37Rv strain. The synthesized compounds displayed interesting antimicrobial activity.

  DOI：

  10.1007/s00044-012-0451-x
• 作为产物：
  描述：

  5-chloro-1-methyl-1H-indole-3-carbaldehyde 在 盐酸羟胺 作用下， 以 甲醇 为溶剂， 反应 8.0h， 生成 5-chloro-1-methyl-1H-indole-3-methanamine
  参考文献：
  名称：

  Synthesis, characterization, and SAR studies of new (1H-indol-3-yl)alkyl-3-(1H-indol-3-yl)propanamide derivatives as possible antimicrobial and antitubercular agents

  摘要：

  In this article, we report herein the SAR studies of a series of (1H-indol-3-yl)alkyl-3-(1H-indol-3-yl)propanamide 10(a-j), 11(a-j). The synthesized compounds were evaluated for their preliminary in vitro antibacterial, antifungal activity and were screened for antitubercular activity against Mycobacterium tuberculosis H37Rv strain. The synthesized compounds displayed interesting antimicrobial activity.

  DOI：

  10.1007/s00044-012-0451-x