6-chloro-2,3,3a,4-tetrahydro-3a-(p-tolyl)-1H-pyrrolo[1,2-a]benzimidazol-1-one

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯烷类
• 英文名称: 6-chloro-2,3,3a,4-tetrahydro-3a-(p-tolyl)-1H-pyrrolo[1,2-a]benzimidazol-1-one
• 英文别名: 6-chloro-3a-(4-methylphenyl)-3,4-dihydro-2H-pyrrolo[1,2-a]benzimidazol-1-one
• 化学式: C₁₇H₁₅ClN₂O
• 分子量: 298.772
• InChiKey: DWTBLQAALISSQA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  21
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  32.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  3-(4-甲基苯甲酰)丙酸 、 4-氯-1,2-苯二胺 以 甲苯 为溶剂， 反应 24.0h， 以44%的产率得到6-chloro-2,3,3a,4-tetrahydro-3a-(p-tolyl)-1H-pyrrolo[1,2-a]benzimidazol-1-one
  参考文献：
  名称：

  Synthesis and anticonvulsant properties of 2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]benzimidazol-1-one derivatives

  摘要：

  A number of novel 1H-pyrrolo[1,2-a]benzimidazol-1-one derivatives were prepared and their anticonvulsant properties evaluated. The new synthesized compounds proved to possess anticonvulsant effects depending on the nature of substituents at C-6, C-2, and C-3a positions of the polycyclic system. In particular, the 6-chloro-3a-(p-tolyl)-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2a]benzimidazol-l-one derivative (22) displayed potency fivefold higher than unsubstituted compound (13). (C) 2001 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0014-827x(01)01147-8

文献信息

• Synthesis and anticonvulsant properties of 2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]benzimidazol-1-one derivatives
  作者：Alba Chimirri、Angela De Sarro、Giovambattista De Sarro、Rosaria Gitto、Maria Zappalà

  DOI：10.1016/s0014-827x(01)01147-8

  日期：2001.11

  A number of novel 1H-pyrrolo[1,2-a]benzimidazol-1-one derivatives were prepared and their anticonvulsant properties evaluated. The new synthesized compounds proved to possess anticonvulsant effects depending on the nature of substituents at C-6, C-2, and C-3a positions of the polycyclic system. In particular, the 6-chloro-3a-(p-tolyl)-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2a]benzimidazol-l-one derivative (22) displayed potency fivefold higher than unsubstituted compound (13). (C) 2001 Elsevier Science S.A. All rights reserved.