(E)-4,4-Dimethyl-non-2-en-5-one | 437711-83-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (E)-4,4-Dimethyl-non-2-en-5-one
• CAS: 437711-83-6
• 化学式: C₁₁H₂₀O
• 分子量: 168.279
• InChiKey: MRQWHXKLUZMOQB-RMKNXTFCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.35
• 重原子数：
  12.0
• 可旋转键数：
  5.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  17.07
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  (E)-4,4-Dimethyl-non-2-en-5-one 在 二异丁基氢化铝 、 zinc(II) iodide 作用下， 以 乙醚 、 正己烷 、 二氯甲烷 为溶剂， 反应 2.0h， 生成 2-butyl-3,3-dimethyl-2-trimethylsilyloxyhex-4-enal
  参考文献：
  名称：

  The Cl2(PCy3)(IMes)Ru(CHPh) catalyst: olefin metathesis versus olefin isomerization

  摘要：

  While investigating RCM of substrates requiring elevated temperatures and extended reaction times, significant isomerization of one of the double bonds in the starting diene was observed with the recently developed [RuIMes] catalyst. This isomerization appeared as an important drawback of the catalyst, but a judicious selection of solvent and additive can completely eliminate this side reaction. (C) 2002 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0022-328x(01)01269-4
• 作为产物：
  描述：

  4,4-Dimethylnon-1-en-5-one 在 rhodium(III) chloride 作用下， 以 乙醇 为溶剂， 反应 6.0h， 以100%的产率得到(E)-4,4-Dimethyl-non-2-en-5-one
  参考文献：
  名称：

  The Cl2(PCy3)(IMes)Ru(CHPh) catalyst: olefin metathesis versus olefin isomerization

  摘要：

  While investigating RCM of substrates requiring elevated temperatures and extended reaction times, significant isomerization of one of the double bonds in the starting diene was observed with the recently developed [RuIMes] catalyst. This isomerization appeared as an important drawback of the catalyst, but a judicious selection of solvent and additive can completely eliminate this side reaction. (C) 2002 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0022-328x(01)01269-4