3-benzyl-8-methyl-2,3,3a,4,5,6-hexahydro-1H-pyrazino[3,2,1-jk]carbazole

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 3-benzyl-8-methyl-2,3,3a,4,5,6-hexahydro-1H-pyrazino[3,2,1-jk]carbazole
• 英文别名: 4-benzyl-12-methyl-1,4-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-9(16),10(15),11,13-tetraene
• 化学式: C₂₂H₂₄N₂
• 分子量: 316.446
• InChiKey: FLUMPRXPCVENMB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  24
• 可旋转键数：
  2
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  8.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  氯化苄 、 坡尔吲哚 在 N,N-二异丙基乙胺 作用下， 以 乙腈 为溶剂， 反应 168.0h， 以95%的产率得到3-benzyl-8-methyl-2,3,3a,4,5,6-hexahydro-1H-pyrazino[3,2,1-jk]carbazole
  参考文献：
  名称：

  Synthesis of hexahydro[1,4]diazocino[7,8,1-jk]carbazoles and 1-methoxy-9-(β-vinylethylamino)ethylcarbazoles

  摘要：

  3-Ethylhexahydropyrazino[3,2,1-jk]carbazole is converted into hexahydro[1,4]diazocino[7,8,1-jk]carbazoles by the action of methyl propiolate and acetylacetylene in acetonitrile and into 1-methoxy9-(beta-vinylethylamino)ethylcarbazoles by the action of acetylenedicarboxylic ester and methyl propiolate in methanol. 3-Benzyl-substituted pyrazinocarbazole does not react with alkynes.

  DOI：

  10.1007/s10593-012-1035-x

文献信息

• PROCESS FOR THE PREPARATION OF PIPERAZINE RING FOR THE SYNTHESIS OF PYRAZINOCARBAZOLE DERIVATIVES
  申请人：Tecnimede, Sociedade Técnico-Medicinal, SA

  公开号：EP3612534B1

  公开（公告）日：2021-12-22
• Synthesis of hexahydro[1,4]diazocino[7,8,1-jk]carbazoles and 1-methoxy-9-(β-vinylethylamino)ethylcarbazoles
  作者：L. G. Voskressensky、V. G. Granik、T. N. Borisova、A. A. Titov、E. I. Grishina、E. A. Sorokina、A. V. Varlamov

  DOI：10.1007/s10593-012-1035-x

  日期：2012.7

  3-Ethylhexahydropyrazino[3,2,1-jk]carbazole is converted into hexahydro[1,4]diazocino[7,8,1-jk]carbazoles by the action of methyl propiolate and acetylacetylene in acetonitrile and into 1-methoxy9-(beta-vinylethylamino)ethylcarbazoles by the action of acetylenedicarboxylic ester and methyl propiolate in methanol. 3-Benzyl-substituted pyrazinocarbazole does not react with alkynes.