1-(1-Benzoyl-4-benzyl-1,3a-dihydropyrrolo[1,2-a]benzimidazol-3-yl)ethanone | 1423447-99-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-(1-Benzoyl-4-benzyl-1,3a-dihydropyrrolo[1,2-a]benzimidazol-3-yl)ethanone
• 英文别名: 1-(1-benzoyl-4-benzyl-1,3a-dihydropyrrolo[1,2-a]benzimidazol-3-yl)ethanone
• CAS: 1423447-99-7
• 化学式: C₂₆H₂₂N₂O₂
• 分子量: 394.473
• InChiKey: PBKJUWXEAZGIPZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  30
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  40.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-(1-Benzoyl-4-benzyl-1,3a-dihydropyrrolo[1,2-a]benzimidazol-3-yl)ethanone 以0.66 g的产率得到1-benzoyl-3-acetyl-4-benzyl-4H-pyrrolo[1,2-a]benzimidazole
  参考文献：
  名称：

  Unexpected formation of pyrrolo[1,2-a]quinoxaline derivatives during the multicomponent synthesis of pyrrolo[1,2-a]benzimidazoles

  摘要：

  New pyrrolo[1,2-a]benzimidazole and pyrrolo[1,2-a]quinoxaline derivatives are obtained via one-pot, three-component reactions from 1-benzylbenzimidazoles, alpha-bromocarbonyl compounds, and non-symmetrical activated acetylenic dipolarophiles in propylene oxide as both the reaction medium and acid scavenger, at room temperature. When the same reaction is performed in 1,2-epoxybutane at reflux temperature only the pyrrolo[1,2-a]benzimidazole derivative is obtained. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2013.01.036
• 作为产物：
  描述：

  1-benzyl-1H-benzo[d]imidazole 、 3-丁炔-2-酮 、 2-溴苯乙酮 生成 1-(1-Benzoyl-4-benzyl-1,3a-dihydropyrrolo[1,2-a]benzimidazol-3-yl)ethanone
  参考文献：
  名称：

  Unexpected formation of pyrrolo[1,2-a]quinoxaline derivatives during the multicomponent synthesis of pyrrolo[1,2-a]benzimidazoles

  摘要：

  New pyrrolo[1,2-a]benzimidazole and pyrrolo[1,2-a]quinoxaline derivatives are obtained via one-pot, three-component reactions from 1-benzylbenzimidazoles, alpha-bromocarbonyl compounds, and non-symmetrical activated acetylenic dipolarophiles in propylene oxide as both the reaction medium and acid scavenger, at room temperature. When the same reaction is performed in 1,2-epoxybutane at reflux temperature only the pyrrolo[1,2-a]benzimidazole derivative is obtained. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2013.01.036