2-[(3,3-difluoro-11-tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaenylidene)amino]-N,N-dimethylethanamine | 76595-83-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 二苯并环庚烯
• 英文名称: 2-[(3,3-difluoro-11-tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaenylidene)amino]-N,N-dimethylethanamine
• CAS: 76595-83-0
• 化学式: C₂₀H₂₀F₂N₂
• 分子量: 326.389
• InChiKey: HFXLGJSKOGIKAZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  24
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  15.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  1,1-difluoro-1a,10b-dihydrodibenzo[a,e]cyclopropa[c]cyclohepten-6-one 、 N,N-二甲基乙二胺 在 六甲基磷酰三胺 、 四氯化钛 作用下， 以 苯 为溶剂， 反应 144.0h， 以50%的产率得到2-[(3,3-difluoro-11-tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaenylidene)amino]-N,N-dimethylethanamine
  参考文献：
  名称：

  Imine analogs of tricyclic antidepressants

  摘要：

  Analogues of tricyclic antidepressants were synthesized in which the alpha-carbon of the side chain was replaced by nitrogen. The antidepressant activity of these imines, as measured by the reversal of the effects of tetrabenazine in mice, showed a structure-activity relationship similar to that of the carbon analogues. The most active imine (19) was six times as potent as amitriptyline. Some of the compounds differed from amitriptyline in that they produced stimulation in mice.

  DOI：

  10.1021/jm00135a018