2-trifluoromethyl-2,3,4,5-tetrahydro-7,8-dimethoxy-3-methyl-1H-3-benzazepine | 207113-48-2

• 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: 2-trifluoromethyl-2,3,4,5-tetrahydro-7,8-dimethoxy-3-methyl-1H-3-benzazepine
• 英文别名: 7,8-dimethoxy-3-methyl-4-(trifluoromethyl)-1,2,4,5-tetrahydro-3-benzazepine
• CAS: 207113-48-2
• 化学式: C₁₄H₁₈F₃NO₂
• 分子量: 289.298
• InChiKey: OJTIJNUAYMJOFF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.67
• 重原子数：
  20.0
• 可旋转键数：
  2.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.57
• 拓扑面积：
  21.7
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  2-trifluoromethyl-2,3,4,5-tetrahydro-7,8-dimethoxy-3-methyl-1H-3-benzazepine 在 三氯化硼 作用下， 以 二氯甲烷 为溶剂， 以98%的产率得到
  参考文献：
  名称：

  Synthesis of 2-Trifluoromethyl-2,3,4,5-tetrahydro-1H-3-benzazepine Derivatives

  摘要：

  2-Trifluoromethyl-3-benzazepines (6 and 8) were efficiently prepared from 1,2,3,4-tetrahydro-1 -hydroxymethylisoquinoline (3) via ring expansion, utilizing a ring closure/ring opening strategy. Introduction of the trifluoromethyl group at 2-position in 7,8-dihydroxy-3-benzazepine (9) resulted in showing no affinity to dopamine D-1 and D-2 receptors.

  DOI：

  10.3987/com-97-8090
• 作为产物：
  描述：

  在 palladium on activated charcoal 氢气 作用下， 以 甲醇 、 甲酸 、 溶剂黄146 为溶剂， 反应 12.0h， 生成 2-trifluoromethyl-2,3,4,5-tetrahydro-7,8-dimethoxy-3-methyl-1H-3-benzazepine
  参考文献：
  名称：

  Synthesis of 2-Trifluoromethyl-2,3,4,5-tetrahydro-1H-3-benzazepine Derivatives

  摘要：

  2-Trifluoromethyl-3-benzazepines (6 and 8) were efficiently prepared from 1,2,3,4-tetrahydro-1 -hydroxymethylisoquinoline (3) via ring expansion, utilizing a ring closure/ring opening strategy. Introduction of the trifluoromethyl group at 2-position in 7,8-dihydroxy-3-benzazepine (9) resulted in showing no affinity to dopamine D-1 and D-2 receptors.

  DOI：

  10.3987/com-97-8090

文献信息

• Synthesis of 2-Trifluoromethyl-2,3,4,5-tetrahydro-1H-3-benzazepine Derivatives
  作者：Masami Kawase、Masayuki Niwa、Masakatsu Nozaki、Noboru Motohashi

  DOI：10.3987/com-97-8090

  日期：——

  2-Trifluoromethyl-3-benzazepines (6 and 8) were efficiently prepared from 1,2,3,4-tetrahydro-1 -hydroxymethylisoquinoline (3) via ring expansion, utilizing a ring closure/ring opening strategy. Introduction of the trifluoromethyl group at 2-position in 7,8-dihydroxy-3-benzazepine (9) resulted in showing no affinity to dopamine D-1 and D-2 receptors.