2,4-dibenzoyl-5-hydroxy-5-methyl-3-(4'-ethoxyphenyl)cyclohexanone | 5109-04-6

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二芳基庚烷
• 英文名称: 2,4-dibenzoyl-5-hydroxy-5-methyl-3-(4'-ethoxyphenyl)cyclohexanone
• 英文别名: 2,4-Dibenzoyl-3-(4-ethoxyphenyl)-5-hydroxy-5-methylcyclohexan-1-one
• CAS: 5109-04-6
• 化学式: C₂₉H₂₈O₅
• 分子量: 456.538
• InChiKey: PUPGGCCQMHAVGY-UHFFFAOYSA-N

物化性质

• 密度：
  1.73±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  34
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  80.7
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  4-乙氧基苯甲醛 、 1-苯基-1,3-丁二酮 在 哌啶 作用下， 以 乙醇 为溶剂， 反应 5.0h， 以61%的产率得到2,4-dibenzoyl-5-hydroxy-5-methyl-3-(4'-ethoxyphenyl)cyclohexanone
  参考文献：
  名称：

  Synthesis and Structure of 3-Aryl-2,4-dibenzoyl-5-hydroxy-5-methylcyclohexanones and 2-Benzoyl-5-hydroxy-5-methyl-3-phenylcyclohexanone

  摘要：

  The reaction of benzoylacetone with aromatic aldehydes under basic catalysis conditions afforded 3-aryl-2,4-dibenzoyl-5-hydroxy-5-methylcyclohexanones. The reaction of benzoylacetone with benzalacetone led to the formation of 2-benzoyl-5-hydroxy-5-methyl-3-phenylcyclohexanone.

  DOI：

  10.1134/s1070363218050109

文献信息

• Synthesis and Structure of 3-Aryl-2,4-dibenzoyl-5-hydroxy-5-methylcyclohexanones and 2-Benzoyl-5-hydroxy-5-methyl-3-phenylcyclohexanone
  作者：N. V. Nosova、A. V. Vagapov、V. L. Gein、L. F. Gein、P. A. Slepukhin

  DOI：10.1134/s1070363218050109

  日期：2018.5

  The reaction of benzoylacetone with aromatic aldehydes under basic catalysis conditions afforded 3-aryl-2,4-dibenzoyl-5-hydroxy-5-methylcyclohexanones. The reaction of benzoylacetone with benzalacetone led to the formation of 2-benzoyl-5-hydroxy-5-methyl-3-phenylcyclohexanone.