(1R,2R,6R,7S)-1,2,4,7-tetraethyl-5,6,8,9-tetraphenyltricyclo[5.2.1.02,6]deca-4,8-diene-3,10-dione | 134937-41-0

• 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: (1R,2R,6R,7S)-1,2,4,7-tetraethyl-5,6,8,9-tetraphenyltricyclo[5.2.1.02,6]deca-4,8-diene-3,10-dione
• CAS: 134937-41-0
• 化学式: C₄₂H₄₀O₂
• 分子量: 576.778
• InChiKey: JZNRTYPPWMXFBX-DIIMNECFSA-N

物化性质

• 沸点：
  659.6±55.0 °C(Predicted)
• 密度：
  1.160±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  8.6
• 重原子数：
  44
• 可旋转键数：
  8
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  34.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (1R,2R,6R,7S)-1,2,4,7-tetraethyl-5,6,8,9-tetraphenyltricyclo[5.2.1.02,6]deca-4,8-diene-3,10-dione 以 氘代氯仿 为溶剂， 生成 2,5-二乙基-3,4-二苯基环戊二酮
  参考文献：
  名称：

  Steric effects in the dimerization of 2,5-dialkyl-3,4-diphenylcyclopentadienones

  摘要：

  Some novel methyl- and ethyl-substituted dimers of 2,4-diphenylcyclopentadienones have been detected. Their enthalpies of dimerization have been determined and compared with values calculated by molecular mechanics. The steric demands of this dimerization have thus been clarified.

  DOI：

  10.1039/p29910000439
• 作为产物：
  描述：

  2,5-二乙基-3,4-二苯基环戊二酮 以 氘代氯仿 为溶剂， 生成 (1R,2R,6R,7S)-1,2,4,7-tetraethyl-5,6,8,9-tetraphenyltricyclo[5.2.1.02,6]deca-4,8-diene-3,10-dione
  参考文献：
  名称：

  Steric effects in the dimerization of 2,5-dialkyl-3,4-diphenylcyclopentadienones

  摘要：

  Some novel methyl- and ethyl-substituted dimers of 2,4-diphenylcyclopentadienones have been detected. Their enthalpies of dimerization have been determined and compared with values calculated by molecular mechanics. The steric demands of this dimerization have thus been clarified.

  DOI：

  10.1039/p29910000439

文献信息

• Steric effects in the dimerization of 2,5-dialkyl-3,4-diphenylcyclopentadienones
  作者：Hilton M. Weiss

  DOI：10.1039/p29910000439

  日期：——

  Some novel methyl- and ethyl-substituted dimers of 2,4-diphenylcyclopentadienones have been detected. Their enthalpies of dimerization have been determined and compared with values calculated by molecular mechanics. The steric demands of this dimerization have thus been clarified.