1-nitro-5,6-diphenylbenzo[4,5]imidazo[2,1-a]isoquinoline | 1447946-60-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 1-nitro-5,6-diphenylbenzo[4,5]imidazo[2,1-a]isoquinoline
• 英文别名: 1-Nitro-5,6-diphenylbenzimidazolo[2,1-a]isoquinoline；1-nitro-5,6-diphenylbenzimidazolo[2,1-a]isoquinoline
• CAS: 1447946-60-2
• 化学式: C₂₇H₁₇N₃O₂
• 分子量: 415.451
• InChiKey: PVQTUHHPSSZJRV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.6
• 重原子数：
  32
• 可旋转键数：
  2
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  63.1
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2-(2-硝基苯基)-1H-苯并咪唑 、 二苯基乙炔 在 copper(II) acetate monohydrate 、 [ruthenium(II)(η⁶-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]₂ 作用下， 以 水 为溶剂， 反应 12.0h， 以60%的产率得到1-nitro-5,6-diphenylbenzo[4,5]imidazo[2,1-a]isoquinoline
  参考文献：
  名称：

  Ruthenium-catalyzed benzimidazoisoquinoline synthesis via oxidative coupling of 2-arylbenzimidazoles with alkynes

  摘要：

  Synthesis of a fused bis-heterocyclic framework, benzimidazoisoquinoline, has been achieved using Ru-catalyzed reaction of alkynes with 2-aryl benzimidazoles in the presence of Cu salts. The method provides an easy access for the generation of a library of benzimidazoisoquinoline derivatives. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2013.05.106

文献信息

• Ruthenium-catalyzed benzimidazoisoquinoline synthesis via oxidative coupling of 2-arylbenzimidazoles with alkynes
  作者：Nerella Kavitha、Genji Sukumar、Vemula Praveen Kumar、Prathama S. Mainkar、Srivari Chandrasekhar

  DOI：10.1016/j.tetlet.2013.05.106

  日期：2013.8

  Synthesis of a fused bis-heterocyclic framework, benzimidazoisoquinoline, has been achieved using Ru-catalyzed reaction of alkynes with 2-aryl benzimidazoles in the presence of Cu salts. The method provides an easy access for the generation of a library of benzimidazoisoquinoline derivatives. (C) 2013 Elsevier Ltd. All rights reserved.