6-methoxy-1,3-dihydro-3-benzazepin-2-one | 1154439-29-8

• 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: 6-methoxy-1,3-dihydro-3-benzazepin-2-one
• CAS: 1154439-29-8
• 化学式: C₁₁H₁₁NO₂
• 分子量: 189.214
• InChiKey: AWHFNUCSIJCSEG-UHFFFAOYSA-N

物化性质

• 沸点：
  450.9±45.0 °C(predicted)
• 密度：
  1.154±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.34
• 重原子数：
  14.0
• 可旋转键数：
  1.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  38.33
• 氢给体数：
  1.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  6-methoxy-1,3-dihydro-3-benzazepin-2-one 在 palladium on activated charcoal 、 氢气 作用下， 以 溶剂黄146 为溶剂， 生成 6-Methoxy-2,3,4,5-tetrahydro-1H-3-benzazepin-2-one
  参考文献：
  名称：

  7-Sulfonamido-3-benzazepines as potent and selective 5-HT2C receptor agonists: Hit-to-lead optimization

  摘要：

  New 7-sulfonamido-3-benzazepines 3 are disclosed as 5-HT2C receptor agonists. Appropriate substitution of the amino group ((RRN)-R-1-N-2-) gave compounds that were potent 5-HT2C agonists with minimal activation of the 5-HT2A and 5-HT2B receptors. Furthermore, representative examples had excellent in vitro ADME properties and good selectivity over ion channel activity. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.02.071
• 作为产物：
  描述：

  N-(2,2-二甲氧基乙基)-2-(3-甲氧基苯基)乙酰胺 在 盐酸 作用下， 以 水 为溶剂， 生成 6-methoxy-1,3-dihydro-3-benzazepin-2-one
  参考文献：
  名称：

  7-Sulfonamido-3-benzazepines as potent and selective 5-HT2C receptor agonists: Hit-to-lead optimization

  摘要：

  New 7-sulfonamido-3-benzazepines 3 are disclosed as 5-HT2C receptor agonists. Appropriate substitution of the amino group ((RRN)-R-1-N-2-) gave compounds that were potent 5-HT2C agonists with minimal activation of the 5-HT2A and 5-HT2B receptors. Furthermore, representative examples had excellent in vitro ADME properties and good selectivity over ion channel activity. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.02.071