(11aS)-10-ethyl-2,3-dihydro-1H-pyrrolo[2,1-c][1,4]benzodiazepine-5,11-(10H,11aH)-dione | 92210-77-0

• 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: (11aS)-10-ethyl-2,3-dihydro-1H-pyrrolo[2,1-c][1,4]benzodiazepine-5,11-(10H,11aH)-dione
• 英文别名: (6aS)-5-ethyl-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepine-6,11-dione
• CAS: 92210-77-0
• 化学式: C₁₄H₁₆N₂O₂
• 分子量: 244.293
• InChiKey: QRORNAOHSBPQAJ-LBPRGKRZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  18
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  40.6
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  硫酸二乙酯 、 (S)-(+)-2,3-二氢-1H-吡咯并[2,1-c][1,4]苯并二氮卓-5,11(10H,11aH)-二酮 在 potassium tert-butylate 作用下， 以 四氢呋喃 为溶剂， 反应 4.17h， 以96%的产率得到(11aS)-10-ethyl-2,3-dihydro-1H-pyrrolo[2,1-c][1,4]benzodiazepine-5,11-(10H,11aH)-dione
  参考文献：
  名称：

  Syntheses of N10-substituted 7-Arylpyrrolo[2,1-c]-[1,4]benzodiazepine-5,11-diones

  摘要：

  Pyrrolo[2,1‐c][1,4]benzodiazepine‐5,11‐dione and its 7‐bromo derivative were alkylated at the N10 atom applying various methods. The resulting products were subjected to Suzuki–Miyaura reactions using a catalyst system consisting of Pd(Cl)2(PPh3)2 and sodium tert‐butanolate in toluene. Results of an X‐ray single crystal analysis are presented.

  DOI：

  10.1002/jhet.1775

文献信息

• Syntheses of N10-substituted 7-Arylpyrrolo[2,1-<i>c</i>]-[1,4]benzodiazepine-5,11-diones
  作者：Anika Sabine Lindner、Egor Geist、Mimoza Gjikaj、Andreas Schmidt

  DOI：10.1002/jhet.1775

  日期：2014.3

  Pyrrolo[2,1‐c][1,4]benzodiazepine‐5,11‐dione and its 7‐bromo derivative were alkylated at the N10 atom applying various methods. The resulting products were subjected to Suzuki–Miyaura reactions using a catalyst system consisting of Pd(Cl)2(PPh3)2 and sodium tert‐butanolate in toluene. Results of an X‐ray single crystal analysis are presented.