ethyl 4-chloro-2-(cyclohex-2-enyl)-3-oxobutanoate

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 酮酸及其衍生物
• 英文名称: ethyl 4-chloro-2-(cyclohex-2-enyl)-3-oxobutanoate
• 英文别名: Ethyl 4-chloro-2-cyclohex-2-en-1-yl-3-oxobutanoate；ethyl 4-chloro-2-cyclohex-2-en-1-yl-3-oxobutanoate
• 化学式: C₁₂H₁₇ClO₃
• 分子量: 244.718
• InChiKey: FZKVEPWDLCKKEC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  16
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  4-氯乙酰乙酸乙酯 、 环己烯 在 叔丁基过氧化氢 、 copper(I) bromide 作用下， 以 癸烷 为溶剂， 以55%的产率得到ethyl 4-chloro-2-(cyclohex-2-enyl)-3-oxobutanoate
  参考文献：
  名称：

  Catalytic Allylic Alkylation via the Cross-Dehydrogenative-Coupling Reaction between Allylic sp³ C−H and Methylenic sp³ C−H Bonds

  摘要：

  A catalytic allylic alkylation was developed via the cross-dehydrogenative-coupling reaction of allylic sp3 C-H and methylenic sp3 C-H catalyzed by copper bromide and cobalt chloride in the presence of an oxidizing reagent, t-BuOOH. This methodology provides a direct way to use allylic sp3 C-H bonds for forming C-C bonds.

  DOI：

  10.1021/ja056541b

文献信息

• Catalytic Allylic Alkylation via the Cross-Dehydrogenative-Coupling Reaction between Allylic sp³ C−H and Methylenic sp³ C−H Bonds
  作者：Zhiping Li、Chao-Jun Li

  DOI：10.1021/ja056541b

  日期：2006.1.1

  A catalytic allylic alkylation was developed via the cross-dehydrogenative-coupling reaction of allylic sp3 C-H and methylenic sp3 C-H catalyzed by copper bromide and cobalt chloride in the presence of an oxidizing reagent, t-BuOOH. This methodology provides a direct way to use allylic sp3 C-H bonds for forming C-C bonds.