(Z)-ethyl 2-(4-(1H-indol-3-yl)-4,5-dihydro-1H-benzo[b][1,4]diazepin-2(3H)-ylidene)acetate | 1533410-61-5

• 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: (Z)-ethyl 2-(4-(1H-indol-3-yl)-4,5-dihydro-1H-benzo[b][1,4]diazepin-2(3H)-ylidene)acetate
• 英文别名: ethyl (2Z)-2-[2-(1H-indol-3-yl)-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-ylidene]acetate
• CAS: 1533410-61-5
• 化学式: C₂₁H₂₁N₃O₂
• 分子量: 347.417
• InChiKey: FPMQMBHRXCQYFX-OWBHPGMISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  26
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  66.2
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  3-吲哚甲醛 、 乙酰乙酸乙酯 、 邻苯二胺 在 溴化二甲基溴化锍 作用下， 以 1,2-二氯乙烷 为溶剂， 反应 4.75h， 以75%的产率得到(Z)-ethyl 2-(4-(1H-indol-3-yl)-4,5-dihydro-1H-benzo[b][1,4]diazepin-2(3H)-ylidene)acetate
  参考文献：
  名称：

  Bromodimethylsulfonium Bromide (BDMS)-Catalyzed Synthesis of 1,5-Benzodiazepines Using a Multi-Component Reaction Strategy

  摘要：

  A new approach for the synthesis of multi-functionalized 1,5-benzodiazepines is developed starting from o-phenylenediamines, -keto esters and aromatic aldehydes utilizing a one-pot, three-component strategy employing bromodimethylsulfonium bromide as the catalyst. The simple reaction procedure, good yields, mild reaction conditions and applicability to a wide range of substrates are some of the salient features of this protocol.

  DOI：

  10.1055/s-0033-1338984

文献信息

• Bromodimethylsulfonium Bromide (BDMS)-Catalyzed Synthesis of 1,5-Benzodiazepines Using a Multi-Component Reaction Strategy
  作者：Abu Khan、Satavisha Sarkar、Jugal Deka、Jagadish Hazra

  DOI：10.1055/s-0033-1338984

  日期：——

  A new approach for the synthesis of multi-functionalized 1,5-benzodiazepines is developed starting from o-phenylenediamines, -keto esters and aromatic aldehydes utilizing a one-pot, three-component strategy employing bromodimethylsulfonium bromide as the catalyst. The simple reaction procedure, good yields, mild reaction conditions and applicability to a wide range of substrates are some of the salient features of this protocol.