10,11-Dihydro-5H-benzo[e]pyrido[2,3-b]azepine | 516514-28-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 10,11-Dihydro-5H-benzo[e]pyrido[2,3-b]azepine
• 英文别名: 6,11-dihydro-5H-pyrido[2,3-c][2]benzazepine
• CAS: 516514-28-6
• 化学式: C₁₃H₁₂N₂
• 分子量: 196.252
• InChiKey: XJCBEGMUKLDPGG-UHFFFAOYSA-N

物化性质

• 沸点：
  379.2±21.0 °C(Predicted)
• 密度：
  1.133±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  15
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  24.9
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  10,11-Dihydro-5H-benzo[e]pyrido[2,3-b]azepine 在 2-(Phenylsulfonyl)-3-phenyloxaziridin 作用下， 以 二氯甲烷 为溶剂， 生成
  参考文献：
  名称：

  2-(Dimethylaminomethyl)-tetrahydroisoxazolopyridobenzazepine derivatives. Synthesis of a new 5-HT2C antagonist with potential anxiolytic properties

  摘要：

  Following the program started at Johnson & Johnson Pharmaceutical Research & Development searching for 5-HT2A/2C antagonists, we now report on the synthesis of 2-(dimethylaminomethyl)-2,3,3a,8-tetrahydroisoxazolo[3,2-a]pyrido[3,4-c]-[2]benzazepine and 2-(dimethylaminomethyl)-2,3,3a,8-tetrahydroisoxazolo[3,2-a]pyrido[3,2-c]-[2]benzazepine. A new method for the synthesis of pyridobenzazepines is described as well. The affinities for several receptors as well as the mCPP antagonistic activity of the compounds synthesised are described. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00796-5
• 作为产物：
  描述：

  3-苯甲酰基-2-氯吡啶 在 氢氧化钾 、 ammonium hydroxide 、 一水合肼 、 三氟乙酸 作用下， 以 乙二醇 为溶剂， 反应 5.0h， 生成 10,11-Dihydro-5H-benzo[e]pyrido[2,3-b]azepine
  参考文献：
  名称：

  2-(Dimethylaminomethyl)-tetrahydroisoxazolopyridobenzazepine derivatives. Synthesis of a new 5-HT2C antagonist with potential anxiolytic properties

  摘要：

  Following the program started at Johnson & Johnson Pharmaceutical Research & Development searching for 5-HT2A/2C antagonists, we now report on the synthesis of 2-(dimethylaminomethyl)-2,3,3a,8-tetrahydroisoxazolo[3,2-a]pyrido[3,4-c]-[2]benzazepine and 2-(dimethylaminomethyl)-2,3,3a,8-tetrahydroisoxazolo[3,2-a]pyrido[3,2-c]-[2]benzazepine. A new method for the synthesis of pyridobenzazepines is described as well. The affinities for several receptors as well as the mCPP antagonistic activity of the compounds synthesised are described. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00796-5