6-Chloro-7-methoxy-4-methyl-3-oxo-1,2,3,4-tetrahydro-cyclopenta[b]indole-2-carboxylic acid ethyl ester | 176384-54-6

• 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: 6-Chloro-7-methoxy-4-methyl-3-oxo-1,2,3,4-tetrahydro-cyclopenta[b]indole-2-carboxylic acid ethyl ester
• CAS: 176384-54-6
• 化学式: C₁₆H₁₆ClNO₄
• 分子量: 321.76
• InChiKey: GHBYUPIGZOABPP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.76
• 重原子数：
  22.0
• 可旋转键数：
  3.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  57.53
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  6-Chloro-7-methoxy-4-methyl-3-oxo-1,2,3,4-tetrahydro-cyclopenta[b]indole-2-carboxylic acid ethyl ester 在 氢溴酸 作用下， 生成
  参考文献：
  名称：

  Imino 1,2,3,4-tetrahydrocyclopent[b]indole carbamates as dual inhibitors of acetylcholinesterase and monoamine oxidase

  摘要：

  A series of imino 1,2,3,4-tetrahydrocyclopent[b]indole carbamates was prepared and evaluated as dual acetylcholinesterase (AChE) and monoamine oxidase (MAO) inhibitors. Halogen substitution ortho to the carbamate functionality in the eight position resulted in a significant increase in binding affinity for both AChE and MAO-A.

  DOI：

  10.1016/0960-894x(96)00072-8
• 作为产物：
  描述：

  6-Chloro-3-(2-ethoxycarbonyl-ethyl)-5-methoxy-1H-indole-2-carboxylic acid ethyl ester 在 potassium tert-butylate 作用下， 以 四氢呋喃 为溶剂， 生成 6-Chloro-7-methoxy-4-methyl-3-oxo-1,2,3,4-tetrahydro-cyclopenta[b]indole-2-carboxylic acid ethyl ester
  参考文献：
  名称：

  Imino 1,2,3,4-tetrahydrocyclopent[b]indole carbamates as dual inhibitors of acetylcholinesterase and monoamine oxidase

  摘要：

  A series of imino 1,2,3,4-tetrahydrocyclopent[b]indole carbamates was prepared and evaluated as dual acetylcholinesterase (AChE) and monoamine oxidase (MAO) inhibitors. Halogen substitution ortho to the carbamate functionality in the eight position resulted in a significant increase in binding affinity for both AChE and MAO-A.

  DOI：

  10.1016/0960-894x(96)00072-8