Dimedon-1-benzoylaethylaether | 58136-92-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: Dimedon-1-benzoylaethylaether
• 英文别名: Dimedon-1-benzoyl-ethylether；5,5-dimethyl-3-(1-oxo-1-phenylpropan-2-yl)oxycyclohex-2-en-1-one
• CAS: 58136-92-8
• 化学式: C₁₇H₂₀O₃
• 分子量: 272.344
• InChiKey: XYSUMVREXOEBPT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.55
• 重原子数：
  20.0
• 可旋转键数：
  4.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  43.37
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为产物：
  描述：

  5,5-二甲基-1,3-环己二酮 、 2-溴苯丙酮 在 potassium carbonate 作用下， 以 氯仿 为溶剂， 生成 Dimedon-1-benzoylaethylaether
  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