(4S,5S)-2,5-diethyl-4-hydroxy-3,4-diphenylcyclopent-2-en-1-one

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: (4S,5S)-2,5-diethyl-4-hydroxy-3,4-diphenylcyclopent-2-en-1-one
• 英文别名: (4R,5R)-2,5-diethyl-4-hydroxy-3,4-diphenylcyclopent-2-en-1-one
• 化学式: C₂₁H₂₂O₂
• 分子量: 306.404
• InChiKey: KGUWKIWUSQALLK-RXVVDRJESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  4-庚酮 、 联苯甲酰 在 potassium hydroxide 作用下， 以 乙醇 为溶剂， 生成 (4S,5R)-2,5-diethyl-4-hydroxy-3,4-diphenylcyclopent-2-en-1-one 、 (4S,5S)-2,5-diethyl-4-hydroxy-3,4-diphenylcyclopent-2-en-1-one
  参考文献：
  名称：

  Structure of 2(5)-alkyl-4-hydroxy-3,4-diphenylcyclopent-2-en-1-ones, cyclocondensation products of benzil with aliphatic ketones

  摘要：

  The reaction of benzil with methyl alkyl ketones gave three isomeric cyclopentenone derivatives, 2-substituted and cis- and trans-5-substituted 4-hydroxy-3,4-diphenylcyclopent-2-en-1-ones. cis- and trans-2,5-Disubstituted 4-hydroxy-3,4-diphenylcyclopent-2-en-1-ones were formed in analogous reaction of benzil with dialkyl ketones. The structure of the products was confirmed by (1)H NMR spectroscopy and molecular-mechanics calculations.

  DOI：

  10.1134/s1070428010080026

文献信息

• Structure of 2(5)-alkyl-4-hydroxy-3,4-diphenylcyclopent-2-en-1-ones, cyclocondensation products of benzil with aliphatic ketones
  作者：I. V. Mikhura、A. A. Formanovskii、A. S. Shashkov

  DOI：10.1134/s1070428010080026

  日期：2010.8

  The reaction of benzil with methyl alkyl ketones gave three isomeric cyclopentenone derivatives, 2-substituted and cis- and trans-5-substituted 4-hydroxy-3,4-diphenylcyclopent-2-en-1-ones. cis- and trans-2,5-Disubstituted 4-hydroxy-3,4-diphenylcyclopent-2-en-1-ones were formed in analogous reaction of benzil with dialkyl ketones. The structure of the products was confirmed by (1)H NMR spectroscopy and molecular-mechanics calculations.