4-(4-methoxyphenyl)-2-(4-nitrophenyl)-4-phenyl-2,3-dihydrobenzo[b][1,4]diazepine | 95456-83-0

• 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: 4-(4-methoxyphenyl)-2-(4-nitrophenyl)-4-phenyl-2,3-dihydrobenzo[b][1,4]diazepine
• 英文别名: 4-(4-methoxyphenyl)-2-(4-nitrophenyl)-2,3-dihydro-1H-1,5-benzodiazepine
• CAS: 95456-83-0
• 化学式: C₂₂H₁₉N₃O₃
• 分子量: 373.411
• InChiKey: LIGNOTALFDLDHE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  28
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  79.4
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  4'-methoxy-4-nitrochalcone 、 邻苯二胺 在 哌啶 作用下， 以 乙醇 为溶剂， 以71%的产率得到4-(4-methoxyphenyl)-2-(4-nitrophenyl)-4-phenyl-2,3-dihydrobenzo[b][1,4]diazepine
  参考文献：
  名称：

  Monga, Vikramdeep; Nayak, Surendra Kumar; Singh, Gurpreet, Indian Journal of Heterocyclic Chemistry, 2017, vol. 27, # 2, p. 143 - 149

  摘要：

  DOI：

文献信息

• One-pot syntheses of dihydro benzo[b][1,4]thiazepines and -diazepines via coupling–isomerization–cyclocondensation sequences
  作者：Roland U. Braun、Thomas J.J. Müller

  DOI：10.1016/j.tet.2004.08.001

  日期：2004.10

  2,4-Di(hetero)aryl substituted 2,3-dihydro benzo[b][1,4]heteroazepines 7 and 9 (hetero=S, NH) can be readily synthesized in a one-pot process initiated by a coupling-isomerization sequence of an electron poor (hetero)aryl halide 4 and a terminal propargyl alcohol 5 subsequently followed by a cyclocondensation with 2-mercapto or 2-amino anilines 6 or 8, respectively. In addition, the structures were established unambiguously by an X-ray structure analysis of 9b. (C) 2004 Elsevier Ltd. All rights reserved.
• A Novel 1,5-Benzoheteroazepine Synthesis via a One-Pot Coupling−Isomerization−Cyclocondensation Sequence
  作者：Roland U. Braun、Kirsten Zeitler、Thomas J. J. Müller

  DOI：10.1021/ol006721k

  日期：2000.12.1

  2,4-Di(hetero)aryl substituted 2,3-dihydro 1,5-benzoheteroazepines (hetero = NH, O, S) can be readily sythesized in a one-pot process initiated by a coupling-isomerization sequence of an electron poor (hetero)aryl halide and a terminal propargyl alcohol subsequently followed by a cyclocondensation with 2-amino, 2-hydroxy, or 2-mercapto anilines. In addition, the structures were established unambiguously by an X-ray structure analysis of 7a.
• Monga, Vikramdeep; Nayak, Surendra Kumar; Singh, Gurpreet, Indian Journal of Heterocyclic Chemistry, 2017, vol. 27, # 2, p. 143 - 149
  作者：Monga, Vikramdeep、Nayak, Surendra Kumar、Singh, Gurpreet

  DOI：——

  日期：——