1-(2,3-Difluoro-phenyl)-6,7-dimethoxy-1,2,3,4-tetrahydro-isoquinoline | 682763-21-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四氢异喹啉
• 英文名称: 1-(2,3-Difluoro-phenyl)-6,7-dimethoxy-1,2,3,4-tetrahydro-isoquinoline
• 英文别名: 1-(2,3-difluorophenyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
• CAS: 682763-21-9
• 化学式: C₁₇H₁₇F₂NO₂
• 分子量: 305.324
• InChiKey: KIVFQYWWLPRQIM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.22
• 重原子数：
  22.0
• 可旋转键数：
  3.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  30.49
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  乙酸酐 、 1-(2,3-Difluoro-phenyl)-6,7-dimethoxy-1,2,3,4-tetrahydro-isoquinoline 反应 1.5h， 以58%的产率得到1-[1-(2,3-Difluoro-phenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-ethanone
  参考文献：
  名称：

  Synthesis and anticonvulsant properties of tetrahydroisoquinoline derivatives

  摘要：

  As a follow up of our previous structure-activity relationship and molecular modeling studies, we synthesized a novel series of 1-aryl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline derivatives as potential non-competitive AMPA receptor antagonists. When tested for their ability to prevent sound-induced seizures in DBA/2 mice, some of these novel compounds showed high anticonvulsant potency.

  DOI：

  10.1016/j.farmac.2003.10.003
• 作为产物：
  描述：

  [1-(2,3-Difluoro-phenyl)-meth-(E)-ylidene]-[2-(3,4-dimethoxy-phenyl)-ethyl]-amine 在 三氟乙酸 作用下， 反应 1.5h， 以68%的产率得到1-(2,3-Difluoro-phenyl)-6,7-dimethoxy-1,2,3,4-tetrahydro-isoquinoline
  参考文献：
  名称：

  Synthesis and anticonvulsant properties of tetrahydroisoquinoline derivatives

  摘要：

  As a follow up of our previous structure-activity relationship and molecular modeling studies, we synthesized a novel series of 1-aryl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline derivatives as potential non-competitive AMPA receptor antagonists. When tested for their ability to prevent sound-induced seizures in DBA/2 mice, some of these novel compounds showed high anticonvulsant potency.

  DOI：

  10.1016/j.farmac.2003.10.003