3-Hydroxy-2-[2-(4-methoxy-phenyl)-2-oxo-ethyl]-5,5-dimethyl-cyclohex-2-enone | 58136-88-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-Hydroxy-2-[2-(4-methoxy-phenyl)-2-oxo-ethyl]-5,5-dimethyl-cyclohex-2-enone
• 英文别名: 3-Hydroxy-2-[2-(4-methoxyphenyl)-2-oxoethyl]-5,5-dimethylcyclohex-2-en-1-one
• CAS: 58136-88-2
• 化学式: C₁₇H₂₀O₄
• 分子量: 288.343
• InChiKey: QKFMRZRJBZFMLJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  63.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-Hydroxy-2-[2-(4-methoxy-phenyl)-2-oxo-ethyl]-5,5-dimethyl-cyclohex-2-enone 以69%的产率得到
  参考文献：
  名称：

  NAGARAJAN K.; DAVID J.; SHAH R. K., J. MED. CHEM. , 1976, 19, NO 4, 508-511

  摘要：

  DOI：
• 作为产物：
  描述：

  5,5-二甲基-1,3-环己二酮 、 alpha-溴-4-甲氧基苯乙酮 在 potassium carbonate 作用下， 以 氯仿 为溶剂， 生成 3-Hydroxy-2-[2-(4-methoxy-phenyl)-2-oxo-ethyl]-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

文献信息

• Nagarajan, K.; Talwalker, P. K.; Shah, R. K., Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1985, vol. 24, p. 98 - 111
  作者：Nagarajan, K.、Talwalker, P. K.、Shah, R. K.、Mehta, S. R.、Nayak, G. V.

  DOI：——

  日期：——
• NAGARAJAN, K.;TALWALKER, P. K.;SHAH, R. K.;MEHTA, S. R.;NAYAK, G. V., INDIAN J. CHEM., 1985, 24, N 1, 98-111
  作者：NAGARAJAN, K.、TALWALKER, P. K.、SHAH, R. K.、MEHTA, S. R.、NAYAK, G. V.

  DOI：——

  日期：——
• Central nervous system active 5-oxo-1,4,5,6,7,8-hexahydrocinnolines
  作者：Kuppuswamy Nagarajan、Joy David、Rashmi K. Shah

  DOI：10.1021/jm00226a012

  日期：1976.4

  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.
• NAGARAJAN K.; DAVID J.; SHAH R. K., J. MED. CHEM. <JMCM-AR>, 1976, 19, NO 4, 508-511
  作者：NAGARAJAN K.、 DAVID J.、 SHAH R. K.

  DOI：——

  日期：——