(Z)-ethyl 2-(8-chloro-4-phenyl-4,5-dihydro-1H-benzo[b][1,4]diazepin-2(3H)-ylidene)acetate | 1533410-68-2

• 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-(8-chloro-4-phenyl-4,5-dihydro-1H-benzo[b][1,4]diazepin-2(3H)-ylidene)acetate
• 英文别名: ethyl (2Z)-2-(7-chloro-2-phenyl-1,2,3,5-tetrahydro-1,5-benzodiazepin-4-ylidene)acetate
• CAS: 1533410-68-2
• 化学式: C₁₉H₁₉ClN₂O₂
• 分子量: 342.825
• InChiKey: NIRWDUYMWBYURZ-QINSGFPZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  24
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  50.4
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  乙酰乙酸乙酯 、 苯甲醛 、 4-氯-1,2-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 5.25h， 生成 (Z)-ethyl 2-(7-chloro-4-phenyl-4,5-dihydro-1H-benzo[b][1,4]diazepin-2(3H)-ylidene)acetate 、 (Z)-ethyl 2-(8-chloro-4-phenyl-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.