1,2,3,4,6,7,8,12b-octahydro-benzo[c]pyrazino[1,2-a]azepine | 63235-22-3

• 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: 1,2,3,4,6,7,8,12b-octahydro-benzo[c]pyrazino[1,2-a]azepine
• 英文别名: 4,7-Diazatricyclo[9.4.0.0,2,7]pentadeca-1(15),11,13-triene；1,2,3,4,6,7,8,12b-octahydropyrazino[2,1-a][2]benzazepine
• CAS: 63235-22-3
• 化学式: C₁₃H₁₈N₂
• 分子量: 202.299
• InChiKey: VBPUNCJTVYIWHS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  15
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  15.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1,2,3,4,6,7,8,12b-octahydro-benzo[c]pyrazino[1,2-a]azepine 以50%的产率得到
  参考文献：
  名称：

  DIXIT V. M.; KHANNA J. M.; ANAND N., INDIAN J. CHEM. , 1976, B 14, NO 11, 874-878

  摘要：

  DOI：
• 作为产物：
  描述：

  3-苯基-1-丙胺 在 palladium on activated charcoal sodium tetrahydroborate 、 PPA 、 硼烷 、 氢气 、 碳酸氢钠 作用下， 以 乙醇 、 水 为溶剂， 反应 2.75h， 生成 1,2,3,4,6,7,8,12b-octahydro-benzo[c]pyrazino[1,2-a]azepine
  参考文献：
  名称：

  Synthesis and anthelmintic activity of a series of of pyrazino[2,1-a][2]benzazepine derivatives

  摘要：

  A series of 1,2,3,4,6,7,8,12b-octahydropyrazino[2,1-alpha][2] benzazepine derivatives was prepared and the cestocidal activity of the compounds evaluated in an in vitro Taenia crassiceps screen. Many of these derivatives proved to be highly active, and 2-(cyclohexylcarbonyl)-4-oxo-1,2,3,4,6,7,8,12b- octahydropyrazino[2,1-alpha][2]benzazepine, epsiprantel (BAN) (22), was selected for further development. The structure-activity relationships are discussed.

  DOI：

  10.1021/jm00129a007

文献信息

• Synthesis and anthelmintic activity of a series of of pyrazino[2,1-a][2]benzazepine derivatives
  作者：Malcolm D. Brewer、Malcolm N. Burgess、Roderick J. J. Dorgan、Richard L. Elliott、Patrick Mamalis、Brian R. Manger、Richard A. B. Webster

  DOI：10.1021/jm00129a007

  日期：1989.9

  A series of 1,2,3,4,6,7,8,12b-octahydropyrazino[2,1-alpha][2] benzazepine derivatives was prepared and the cestocidal activity of the compounds evaluated in an in vitro Taenia crassiceps screen. Many of these derivatives proved to be highly active, and 2-(cyclohexylcarbonyl)-4-oxo-1,2,3,4,6,7,8,12b- octahydropyrazino[2,1-alpha][2]benzazepine, epsiprantel (BAN) (22), was selected for further development. The structure-activity relationships are discussed.
• DIXIT V. M.; KHANNA J. M.; ANAND N., INDIAN J. CHEM. <IJOC-AP>, 1976, B 14, NO 11, 874-878
  作者：DIXIT V. M.、 KHANNA J. M.、 ANAND N.

  DOI：——

  日期：——