(5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl)acetic acid

• 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: (5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl)acetic acid
• 英文别名: 2-(6,11-dioxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl)acetic acid
• 化学式: C₁₄H₁₄N₂O₄
• mdl: MFCD09785104
• 分子量: 274.276
• InChiKey: FLIIRAIAYMHVAC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  77.9
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  1,2,3,11a-tetrahydro-10H-benzo[e]pyrrolo[1,2-a][1,4]diazepine-5,11-dione 在 palladium on activated charcoal 苄基三乙基氯化铵 、 氢气 、 potassium carbonate 作用下， 以 甲醇 、 乙腈 为溶剂， 反应 2.5h， 生成 (5,11-dioxo-2,3,11,11a-tetrahydro-1H-pyrrolo[2,1-c][1,4]benzodiazepin-10(5H)-yl)acetic acid
  参考文献：
  名称：

  High Yield Phase Transfer N-alkylation of Some Benzodiazepines by Esters of ω-Halo Acids

  摘要：

  Different 1,4-benzodiazepinyl acetic and propionic acids were prepared by hydrogenolysis of benzyl or hydrolysis of the corresponding ethyl esters which were obtained by phase transfer alkylation of respective amides with benzyl bromoacetate and benzyl or ethyl 2-bromopropionate.

  DOI：

  10.1080/00397919808005955

文献信息

• High Yield Phase Transfer N-alkylation of Some Benzodiazepines by Esters of ω-Halo Acids
  作者：Gašper Marc、Slavko Pečar

  DOI：10.1080/00397919808005955

  日期：1998.4

  Different 1,4-benzodiazepinyl acetic and propionic acids were prepared by hydrogenolysis of benzyl or hydrolysis of the corresponding ethyl esters which were obtained by phase transfer alkylation of respective amides with benzyl bromoacetate and benzyl or ethyl 2-bromopropionate.