5-(benzo[d][1,3]dioxol-5-ylmethyl)-9-chloro-N-cyclohexyl-6-oxo-5,6-dihydro-4H-benzo[f]imidazo[1,5-a][1,4]diazepine-4-carboxamide | 1586800-33-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯二氮卓类
• 英文名称: 5-(benzo[d][1,3]dioxol-5-ylmethyl)-9-chloro-N-cyclohexyl-6-oxo-5,6-dihydro-4H-benzo[f]imidazo[1,5-a][1,4]diazepine-4-carboxamide
• 英文别名: 5-(1,3-benzodioxol-5-ylmethyl)-9-chloro-N-cyclohexyl-6-oxo-4H-imidazo[1,5-a][1,4]benzodiazepine-4-carboxamide
• CAS: 1586800-33-0
• 化学式: C₂₆H₂₅ClN₄O₄
• 分子量: 492.962
• InChiKey: IJPZEIWKEHPPAD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  35
• 可旋转键数：
  4
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  85.7
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  N-(benzo[d][1,3]dioxol-5-ylmethyl)-4-chloro-N-(2-(cyclohexylamino)-1-(1H-imidazol-4-yl)-2-oxoethyl)-2-iodobenzamide 在 copper(l) iodide 、 caesium carbonate 作用下， 以 二甲基亚砜 为溶剂， 反应 0.5h， 以60%的产率得到5-(benzo[d][1,3]dioxol-5-ylmethyl)-9-chloro-N-cyclohexyl-6-oxo-5,6-dihydro-4H-benzo[f]imidazo[1,5-a][1,4]diazepine-4-carboxamide
  参考文献：
  名称：

  Microwave-assisted synthesis of 4H-benzo[f]imidazo[1,4]diazepin-6-ones via a post-Ugi copper-catalyzed intramolecular Ullmann coupling

  摘要：

  An efficient post-Ugi copper-catalyzed intramolecular Ullmann coupling strategy has been elaborated for the diversity-oriented synthesis of 4H-benzo[f]imidazo[1,4]diazepin-6-ones and the scope and limitations of this protocol are investigated. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2014.02.023

文献信息

• Microwave-assisted synthesis of 4H-benzo[f]imidazo[1,4]diazepin-6-ones via a post-Ugi copper-catalyzed intramolecular Ullmann coupling
  作者：Zhenghua Li、Laetitia Legras、Amit Kumar、Dipak D. Vachhani、Sunil K. Sharma、Virinder S. Parmar、Erik V. Van der Eycken

  DOI：10.1016/j.tetlet.2014.02.023

  日期：2014.3

  An efficient post-Ugi copper-catalyzed intramolecular Ullmann coupling strategy has been elaborated for the diversity-oriented synthesis of 4H-benzo[f]imidazo[1,4]diazepin-6-ones and the scope and limitations of this protocol are investigated. (C) 2014 Elsevier Ltd. All rights reserved.