1-(4-hydroxyphenyl)-2-amyl-3-(4-methylphenyl)-5-(1-hydrogen-benzimidazolyl)-1H-pyrrole | 1194953-66-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: 1-(4-hydroxyphenyl)-2-amyl-3-(4-methylphenyl)-5-(1-hydrogen-benzimidazolyl)-1H-pyrrole
• 英文别名: 4-[5-(1H-benzimidazol-2-yl)-3-(4-methylphenyl)-2-pentylpyrrol-1-yl]phenol
• CAS: 1194953-66-6
• 化学式: C₂₉H₂₉N₃O
• 分子量: 435.569
• InChiKey: KBUCZPWUAWULKF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.5
• 重原子数：
  33
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  53.8
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  1-(1H-benzimidazol-2-yl)-3-(4-methylphenyl)nonane-1,4-dione 、 对氨基苯酚 在 溶剂黄146 作用下， 以 甲醇 为溶剂， 生成 1-(4-hydroxyphenyl)-2-amyl-3-(4-methylphenyl)-5-(1-hydrogen-benzimidazolyl)-1H-pyrrole
  参考文献：
  名称：

  Organic Catalytic Multicomponent One-Pot Synthesis of Highly Substituted Pyrroles

  摘要：

  A multicomponent synthesis of highly substituted pyrroles catalyzed by thiazolium salts has been disclosed. The reaction employs an acyl anion conjugate addition reaction of aldegyde and unsaturated ketones to generate 1,4-dicarbonyl compounds in situ. The subsequent addition of various amines promotes a Paal-Knorr reaction, affording the desired pyrrole nucleus in an efficient one-pot process.

  DOI：

  10.1080/00397910902838953

文献信息

• Organic Catalytic Multicomponent One-Pot Synthesis of Highly Substituted Pyrroles
  作者：Xiaobi Jing、Xin Pan、Zhen Li、Xiaoxin Bi、Chaoguo Yan、Hongxiang Zhu

  DOI：10.1080/00397910902838953

  日期：2009.10.12

  A multicomponent synthesis of highly substituted pyrroles catalyzed by thiazolium salts has been disclosed. The reaction employs an acyl anion conjugate addition reaction of aldegyde and unsaturated ketones to generate 1,4-dicarbonyl compounds in situ. The subsequent addition of various amines promotes a Paal-Knorr reaction, affording the desired pyrrole nucleus in an efficient one-pot process.