3-[2-(4-Fluoro-phenyl)-2-oxo-ethoxy]-5,5-dimethyl-cyclohex-2-enone | 58136-93-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-[2-(4-Fluoro-phenyl)-2-oxo-ethoxy]-5,5-dimethyl-cyclohex-2-enone
• 英文别名: 3-[2-(4-fluorophenyl)-2-oxoethoxy]-5,5-dimethylcyclohex-2-en-1-one
• CAS: 58136-93-9
• 化学式: C₁₆H₁₇FO₃
• 分子量: 276.308
• InChiKey: KMFDJFNZCGPHAE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  20
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  5,5-二甲基-1,3-环己二酮 、 2-溴-4'-氟苯乙酮 在 potassium carbonate 作用下， 以 氯仿 为溶剂， 生成 3-[2-(4-Fluoro-phenyl)-2-oxo-ethoxy]-5,5-dimethyl-cyclohex-2-enone
  参考文献：
  名称：

  Central nervous system active 5-oxo-1,4,5,6,7,8-hexahydrocinnolines

  摘要：

  Among a series of 5-oxo-1,4,5,6,7,8-hexahydrocinnolines examined for their CNS activity, 1-(2-diethylaminoethyl)-3-(p-fluorophenyl)-5-oxo-7,7-dimethyl-1,4,5,6,7,8-hexahydrocinnoline (23) and 1-(2-dimethylaminoethyl)-3-phenyl-5-oxo-7,7-dimethyl-1,4,5,6,7,8-hexahydrocinnoline (27) had sedative and anticonvulsant properties and were also acitve in tests used to characterize antidepressants. But their narrow safety margin precluded further follow-up studies. Derivatives 35-38 of 2-(omega-phenacyl)-3-hydrazino-5,5-dimethyl-2-cyclohexenone were active in tests used to characterize antidepressants and were weakly sedative but not anticonvulsant.

  DOI：

  10.1021/jm00226a012