3H-benzo[e]indole-4-carboxylic acid | 1609938-66-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 3H-benzo[e]indole-4-carboxylic acid
• CAS: 1609938-66-0
• 化学式: C₁₃H₉NO₂
• 分子量: 211.22
• InChiKey: LQPQEHASONRNAC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  53.1
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  ethyl 3H-benzo[e]indole-4-carboxylate 在 sodium hydroxide 、 盐酸 作用下， 以 乙醇 、 水 为溶剂， 反应 3.0h， 以92%的产率得到3H-benzo[e]indole-4-carboxylic acid
  参考文献：
  名称：

  可见光光氧化还原催化杂芳烃与α-溴环烷或α-溴肉桂酸酯的级联环化反应

  摘要：

  AbstractVinyl radicals were generated from α‐bromochalcones or α‐bromocinnamate ethyl ester under visible light photoredox catalyzed conditions via an oxidative quenching cycle of the iridium complex [Ir{dF(CF3)ppy}2(dtbbpy)]PF6 and subjected to cascade cyclizations with heteroarenes entailing two consecutive CC bond formations and three CH activations. The process is amenable to furans, benzofurans, pyrroles, and indoles, giving rise to a broad variety of novel polycyclic frameworks in high yields under mild and environmentally benign reaction conditions.magnified image

  DOI：

  10.1002/adsc.201301069

文献信息

• Visible Light Photoredox Catalyzed Cascade Cyclizations of α-Bromochalcones or α-Bromocinnamates with Heteroarenes
  作者：Suva Paria、Oliver Reiser

  DOI：10.1002/adsc.201301069

  日期：2014.2.10

  AbstractVinyl radicals were generated from α‐bromochalcones or α‐bromocinnamate ethyl ester under visible light photoredox catalyzed conditions via an oxidative quenching cycle of the iridium complex [IrdF(CF3)ppy}2(dtbbpy)]PF6 and subjected to cascade cyclizations with heteroarenes entailing two consecutive CC bond formations and three CH activations. The process is amenable to furans, benzofurans, pyrroles, and indoles, giving rise to a broad variety of novel polycyclic frameworks in high yields under mild and environmentally benign reaction conditions.magnified image