4-(2-butylidene)cyclohexanone ethylene ketal | 910308-56-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-(2-butylidene)cyclohexanone ethylene ketal
• 英文别名: 8-Butylidene-1,4-dioxaspiro[4.5]decane
• CAS: 910308-56-4
• 化学式: C₁₂H₂₀O₂
• 分子量: 196.29
• InChiKey: POALSEJJKUETLR-UHFFFAOYSA-N

物化性质

• 沸点：
  278.9±40.0 °C(Predicted)
• 密度：
  1.00±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-(2-butylidene)cyclohexanone ethylene ketal 在 镍 水 、 氢气 作用下， 以 甲醇 为溶剂， 生成 4-正丁基环己酮
  参考文献：
  名称：

  Gas chromatography/electron impact mass spectrometry applied to the differentiation of the positional isomers of long-chainn-alkylcyclohexanones

  摘要：

  AbstractThe influence of n‐butyl group position upon the fragmentation behavior of the three isomeric n‐butylcyclohexanones was studied. The different fragmentation processes are described and have been applied to the differentiation of the positional isomers of long‐chain n‐alkylcyclohexanones. In the case of the 4‐n‐alkyl isomers, an interesting mechanism involving a recyclization is proposed and substantiated by deuterium labelling.

  DOI：

  10.1002/oms.1210240910
• 作为产物：
  描述：

  1,4-环己二酮单乙二醇缩酮 在 对甲苯磺酸 作用下， 以 甲苯 为溶剂， 生成 4-(2-butylidene)cyclohexanone ethylene ketal
  参考文献：
  名称：

  Gas chromatography/electron impact mass spectrometry applied to the differentiation of the positional isomers of long-chainn-alkylcyclohexanones

  摘要：

  AbstractThe influence of n‐butyl group position upon the fragmentation behavior of the three isomeric n‐butylcyclohexanones was studied. The different fragmentation processes are described and have been applied to the differentiation of the positional isomers of long‐chain n‐alkylcyclohexanones. In the case of the 4‐n‐alkyl isomers, an interesting mechanism involving a recyclization is proposed and substantiated by deuterium labelling.

  DOI：

  10.1002/oms.1210240910

文献信息

• WO2006/98961
  申请人：——

  公开号：——

  公开（公告）日：——