5-(2,4,6-trimethylbenzoyl)-5H-dibenz[b,f]azepine

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯氮卓类
• 英文名称: 5-(2,4,6-trimethylbenzoyl)-5H-dibenz[b,f]azepine
• 英文别名: Benzo[b][1]benzazepin-11-yl-(2,4,6-trimethylphenyl)methanone；benzo[b][1]benzazepin-11-yl-(2,4,6-trimethylphenyl)methanone
• 化学式: C₂₄H₂₁NO
• 分子量: 339.437
• InChiKey: NLDMZAMVKFBPJM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.8
• 重原子数：
  26
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  20.3
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  亚氨基芪 、 2,4,6-三甲基苯甲酰氯 在 双(三甲基硅烷基)氨基钾 作用下， 以 四氢呋喃 为溶剂， 反应 1.0h， 以99%的产率得到5-(2,4,6-trimethylbenzoyl)-5H-dibenz[b,f]azepine
  参考文献：
  名称：

  Freezing the Butterfly Motion of Carbamazepine Derivatives

  摘要：

  Atropisomeric properties were found in carbamazepine derivatives. The atropisomers of N-acyl and N-thiocarbamoyl derivatives of carbamazepine were isolated, with high stereochemical stability. It has been elucidated that the rotation about the N-C1 axis around the outer amide N-(C=O) does not coordinate with the rotation of the butterfly-like motion.

  DOI：

  10.1055/s-0035-1560201

文献信息

• Freezing the Butterfly Motion of Carbamazepine Derivatives
  作者：Hideyo Takahashi、Yuki Kanase、Mai Kuniyoshi、Hidetsugu Tabata、Yuka Takahashi、Susumu Kayama、Shintaro Wakamatsu、Tetsuta Oshitari、Hideaki Natsugari

  DOI：10.1055/s-0035-1560201

  日期：——

  Atropisomeric properties were found in carbamazepine derivatives. The atropisomers of N-acyl and N-thiocarbamoyl derivatives of carbamazepine were isolated, with high stereochemical stability. It has been elucidated that the rotation about the N-C1 axis around the outer amide N-(C=O) does not coordinate with the rotation of the butterfly-like motion.