7,7-dimethyl-7,8-dihydro-4bH-dibenzo[2,3:5,6][1,4]diazepino[7,1-a]isoindole-5,15(6H,9H)-dione | 312622-03-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异吲哚及其衍生物
• 英文名称: 7,7-dimethyl-7,8-dihydro-4bH-dibenzo[2,3:5,6][1,4]diazepino[7,1-a]isoindole-5,15(6H,9H)-dione
• 英文别名: 7,7-dimethyl-4b,7,8,9-tetrahydro-6H-dibenzo[2,3:5,6][1,4]diazepino[7,1-a]isoindole-5,15-dione；11,11-dimethyl-1,8-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-2,4,6,9(14),16,18,20-heptaene-13,22-dione
• CAS: 312622-03-0
• 化学式: C₂₂H₂₀N₂O₂
• 分子量: 344.413
• InChiKey: NVMSWIDDCFQLBN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  26
• 可旋转键数：
  0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  49.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2-(3,3-dimethyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-11-yl)benzoic acid 在 丙酸酐 作用下， 反应 0.02h， 以65%的产率得到7,7-dimethyl-7,8-dihydro-4bH-dibenzo[2,3:5,6][1,4]diazepino[7,1-a]isoindole-5,15(6H,9H)-dione
  参考文献：
  名称：

  包含 1,4-苯二氮卓和异吲哚啉酮片段的新多环系统：合成和结构

  摘要：

  摘要脱水 2-(3,3-二甲基-1-氧代-2,3,4,5,10,11-六氢-1H-二苯并[b,e][1,4]-diazepin-11-yl)benzoic酸 (3a) 和 2-(3,3-二甲基-1-氧代-2,3,4,5,10,11-六氢-1H-二苯并[b,e] [1,4]diazepin-11-yl )-5,6-二甲氧基苯甲酸 (3b) 在沸腾的乙酸或丙酸酐中得到 7,7-二甲基-4b,7,8,9-四氢-6H-二苯并[2,3:5,6][1,4 ]diazepino[7,1-a]-isoindole-5,15-dione (5a) 和 1,2-dimethoxy-7,7-dimethyl-4b,7,8,9-tetrahydro-6H-dibenzo-[2, 3:5,6][1,4]diazepino[7,1-a]isoindole-5,15-dione (5b)，分别。获得的产品是新型稠合五环系统的代表。化合物

  DOI：

  10.1007/s11172-011-0258-9

文献信息

• An Efficient Three-component Tandem Reaction Leading to Pentacyclic Isoindole-fused Benzo[<i>b</i>,<i>e</i>][1,4]diazepines in Water
  作者：Shu-Liang Wang、Chuang Cheng、Fei-Yue Wu、Jing Li、Bo Jiang、Shu-Jiang Tu

  DOI：10.1246/cl.2011.834

  日期：2011.8.5

  An efficient methodology for the synthesis of highly functionalized pentacyclic isoindole-fused benzo[b,e][1,4]diazepine derivatives from readily available common reactants in water has been develo...

  已开发出一种从水中易得的常见反应物合成高度官能化的五环异吲哚稠合苯并[b,e][1,4]二氮杂衍生物的有效方法...
• An approach to dihydroisoindolobenzodiazepinones—three-dimensional molecular frameworks
  作者：Anatoliy G. Yaremenko、Vyacheslav V. Shelyakin、Dmitriy M. Volochnyuk、Eduard B. Rusanov、Oleksandr O. Grygorenko

  DOI：10.1016/j.tetlet.2012.12.065

  日期：2013.3

  A concise two-step procedure is developed for the preparation of dihydroisoindolobenzodiazepinones, which represent derivatives of three-dimensional molecular frameworks derived from classical privileged structures of medicinal chemistry. The method commences from the readily available starting materials (i.e., 2-formylbenzoic acid, o-phenylenediamine, and various ketones) and enables the synthesis of the title compounds in 58-82% overall yields. (C) 2012 Elsevier Ltd. All rights reserved.
• A new polycyclic system containing the 1,4-benzodiazepine and isoindolinone fragments: synthesis and structure
  作者：L. Yu. Ukhin、K. Yu. Suponitskii、E. N. Shepelenko、L. V. Belousova、Zh. I. Orlova、G. S. Borodkin

  DOI：10.1007/s11172-011-0258-9

  日期：2011.8

  7-dimethyl-4b,7,8,9-tetrahydro-6H-dibenzo-[2,3:5,6][1,4]diazepino[7,1-a]isoindole-5,15-dione (5b), respectively. The products obtained are representatives of a novel fused pentacyclic system. The structures of compounds 3b and 5a were unambiguously proved by X-ray diffraction.

  摘要脱水 2-(3,3-二甲基-1-氧代-2,3,4,5,10,11-六氢-1H-二苯并[b,e][1,4]-diazepin-11-yl)benzoic酸 (3a) 和 2-(3,3-二甲基-1-氧代-2,3,4,5,10,11-六氢-1H-二苯并[b,e] [1,4]diazepin-11-yl )-5,6-二甲氧基苯甲酸 (3b) 在沸腾的乙酸或丙酸酐中得到 7,7-二甲基-4b,7,8,9-四氢-6H-二苯并[2,3:5,6][1,4 ]diazepino[7,1-a]-isoindole-5,15-dione (5a) 和 1,2-dimethoxy-7,7-dimethyl-4b,7,8,9-tetrahydro-6H-dibenzo-[2, 3:5,6][1,4]diazepino[7,1-a]isoindole-5,15-dione (5b)，分别。获得的产品是新型稠合五环系统的代表。化合物