(S)-2-((RS)-1-(4-methoxyphenyl)-2-oxo-2-(4-phenylpiperazin-1-yl)ethyl)-1,2,3,4-tetrahydro-benzo[e]pyrazino[1,2-a][1,4]diazepine-6,12(11H,12aH)-dione | 1223526-79-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: (S)-2-((RS)-1-(4-methoxyphenyl)-2-oxo-2-(4-phenylpiperazin-1-yl)ethyl)-1,2,3,4-tetrahydro-benzo[e]pyrazino[1,2-a][1,4]diazepine-6,12(11H,12aH)-dione
• CAS: 1223526-79-1
• 化学式: C₃₁H₃₃N₅O₄
• 分子量: 539.634
• InChiKey: BDRBGQFWTFVPSQ-MBMZGMDYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.86
• 重原子数：
  40.0
• 可旋转键数：
  5.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  85.43
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为产物：
  描述：

  在 溶剂黄146 作用下， 以 异丙醇 为溶剂， 反应 12.0h， 以128 mg的产率得到(S)-2-((RS)-1-(4-methoxyphenyl)-2-oxo-2-(4-phenylpiperazin-1-yl)ethyl)-1,2,3,4-tetrahydro-benzo[e]pyrazino[1,2-a][1,4]diazepine-6,12(11H,12aH)-dione
  参考文献：
  名称：

  A traceless solid-supported synthesis of novel pyrazinediazepinedione derivatives

  摘要：

  A simple, convenient, six-step synthesis of novel, tricyclic pyrazinebenzodiazepinedione derivatives has been described. The strategy is based on the use of the orthogonally-protected, optically pure, (S)-piperazine-2-carboxylic acid, in a Petasis reaction, followed by coupling with anthranilic acid and finally cyclizing cleavage. The investigated method was applied for the synthesis of novel bicyclic pyrazinediaze-pinedione derivatives. This traceless, solid-supported approach allows the preparation of a wide variety of compounds in moderate yields from commercially available or easily obtainable reagents. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2010.01.064