2-cyclohexyl-1,3,4,5-tetrahydro-10H-pyrrolo[3,4-b][1,5]benzodiazepine-1,4-dione | 143851-27-8

• 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: 2-cyclohexyl-1,3,4,5-tetrahydro-10H-pyrrolo[3,4-b][1,5]benzodiazepine-1,4-dione
• 英文别名: 2-cyclohexyl-5,10-dihydro-3H-pyrrolo[3,4-c][1,5]benzodiazepine-1,4-dione
• CAS: 143851-27-8
• 化学式: C₁₇H₁₉N₃O₂
• 分子量: 297.357
• InChiKey: MZEWMMQNIWMLKU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  22
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  61.4
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-cyclohexyl-1,3,4,5-tetrahydro-10H-pyrrolo[3,4-b][1,5]benzodiazepine-1,4-dione 在 sodium carbonate 、 三乙胺 作用下， 以 1,4-二氧六环 、 乙腈 为溶剂， 反应 11.0h， 生成 2-cyclohexyl-10-(morpholin-4-ylethanoyl)-1,3,4,5-tetrahydropyrrolo[3,4-b][1,5]benzodiazepine-1,4-dione
  参考文献：
  名称：

  Syntheses and Reactions of 2-Cyclohexyl-1,3,4,5-tetrahydro-10H-pyrrolo[3,4-b][1,5]benzodiazepine-1,4-dione and 4-Aryl-2-cyclohexyl-1,3,4,10-tetrahydropyrrolo[4,3-c][1,5]benzothiazepin-1-ones

  摘要：

  2-Cyclohexyl-1,3,4,5-tetrahydro-10H-pyrrolo[3,4-b][1,5]benzodiazepine- 1,4-dione was synthesized by heating a solution of ethyl 1-cyclohexyl-2,3-dioxopyrrolidine-4-carboxylate and o-phenylenediamine in acetic acid. Alkylation and acylation of the synthesized compound were examined. 4-Aryl-2-cyclohexyl-1,3,4,10-tetrahydropyrrolo[4,3-c][1,5]benzothiazepin-1-ones were synthesized by Michael addition of 2-aminothiophenol to 4-arylidene-1-cyclohexyl-2,3-dioxopyrrolidines and concomitant dehydrative cyclization.

  DOI：

  10.3987/com-05-10514
• 作为产物：
  描述：

  1-Cyclohexyl-4-carboethoxy-2,3-dioxopyrrolidine 、 邻苯二胺 以 溶剂黄146 为溶剂， 反应 1.0h， 以91%的产率得到2-cyclohexyl-1,3,4,5-tetrahydro-10H-pyrrolo[3,4-b][1,5]benzodiazepine-1,4-dione
  参考文献：
  名称：

  Syntheses and Reactions of 2-Cyclohexyl-1,3,4,5-tetrahydro-10H-pyrrolo[3,4-b][1,5]benzodiazepine-1,4-dione and 4-Aryl-2-cyclohexyl-1,3,4,10-tetrahydropyrrolo[4,3-c][1,5]benzothiazepin-1-ones

  摘要：

  2-Cyclohexyl-1,3,4,5-tetrahydro-10H-pyrrolo[3,4-b][1,5]benzodiazepine- 1,4-dione was synthesized by heating a solution of ethyl 1-cyclohexyl-2,3-dioxopyrrolidine-4-carboxylate and o-phenylenediamine in acetic acid. Alkylation and acylation of the synthesized compound were examined. 4-Aryl-2-cyclohexyl-1,3,4,10-tetrahydropyrrolo[4,3-c][1,5]benzothiazepin-1-ones were synthesized by Michael addition of 2-aminothiophenol to 4-arylidene-1-cyclohexyl-2,3-dioxopyrrolidines and concomitant dehydrative cyclization.

  DOI：

  10.3987/com-05-10514

文献信息

• Syntheses and Reactions of 2-Cyclohexyl-1,3,4,5-tetrahydro-10H-pyrrolo[3,4-b][1,5]benzodiazepine-1,4-dione and 4-Aryl-2-cyclohexyl-1,3,4,10-tetrahydropyrrolo[4,3-c][1,5]benzothiazepin-1-ones
  作者：Keizo Matsuo、Junko Kawanishi、Mariko Kobayashi、Sachiko Ueno

  DOI：10.3987/com-05-10514

  日期：——

  2-Cyclohexyl-1,3,4,5-tetrahydro-10H-pyrrolo[3,4-b][1,5]benzodiazepine- 1,4-dione was synthesized by heating a solution of ethyl 1-cyclohexyl-2,3-dioxopyrrolidine-4-carboxylate and o-phenylenediamine in acetic acid. Alkylation and acylation of the synthesized compound were examined. 4-Aryl-2-cyclohexyl-1,3,4,10-tetrahydropyrrolo[4,3-c][1,5]benzothiazepin-1-ones were synthesized by Michael addition of 2-aminothiophenol to 4-arylidene-1-cyclohexyl-2,3-dioxopyrrolidines and concomitant dehydrative cyclization.