ethyl 9,9-dimethyl-7E-decenoate

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: ethyl 9,9-dimethyl-7E-decenoate
• 英文别名: ethyl (E)-9,9-dimethyldec-7-enoate
• 化学式: C₁₄H₂₆O₂
• 分子量: 226.359
• InChiKey: SWDXGYGQEGOWOQ-ZRDIBKRKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  16
• 可旋转键数：
  9
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.79
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  3,3-二甲基-1-丁炔 、 6-溴己酸乙酯 在 Schwartz's reagent 、 bis(acetylacetonato)palladium(II) 、 lithium bromide 作用下， 以 四氢呋喃 、 N-甲基吡咯烷酮 为溶剂， 反应 25.0h， 以86%的产率得到ethyl 9,9-dimethyl-7E-decenoate
  参考文献：
  名称：

  Cross-Couplings of Alkyl Electrophiles under “Ligandless” Conditions:  Negishi Reactions of Organozirconium Reagents

  摘要：

  This report establishes that simple, "ligandless" palladium complexes can catalyze the first zirconium-Negishi reactions of alkyl electrophiles. In view of the attractiveness of ligandless catalysts (cost, simplicity, and ease of purification), these observations add a significant and intriguing new dimension to the development of effective palladium-based processes for coupling alkyl electrophiles.

  DOI：

  10.1021/ja0393729

文献信息

• Cross-Couplings of Alkyl Electrophiles under “Ligandless” Conditions:  Negishi Reactions of Organozirconium Reagents
  作者：Sheryl L. Wiskur、Alexander Korte、Gregory C. Fu

  DOI：10.1021/ja0393729

  日期：2004.1.1

  This report establishes that simple, "ligandless" palladium complexes can catalyze the first zirconium-Negishi reactions of alkyl electrophiles. In view of the attractiveness of ligandless catalysts (cost, simplicity, and ease of purification), these observations add a significant and intriguing new dimension to the development of effective palladium-based processes for coupling alkyl electrophiles.