(-)-(3S)-dec-1-en-3-yl acetate | 1542075-29-5

• 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: (-)-(3S)-dec-1-en-3-yl acetate
• 英文别名: [(3S)-dec-1-en-3-yl] acetate
• CAS: 1542075-29-5
• 化学式: C₁₂H₂₂O₂
• 分子量: 198.305
• InChiKey: WZHRMNRJRZTTCG-GFCCVEGCSA-N

物化性质

• 沸点：
  248.4±9.0 °C(predicted)
• 密度：
  0.879±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  14
• 可旋转键数：
  9
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.75
• 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：

  反式-2-癸烯醇 在 C₅₈H₅₂IrNO₄P⁽¹⁺⁾ 、 四丁基溴化铵 、 sodium hydroxide 作用下， 以 四氯化碳 、 二氯甲烷 、 甲基叔丁基醚 、 水 为溶剂， 反应 38.0h， 生成 (-)-(3S)-dec-1-en-3-yl acetate
  参考文献：
  名称：

  Enantio- and Regioselective Iridium-Catalyzed Allylic Esterification

  摘要：

  A highly enantioselective and regioselective Ir-catalyzed allylic esterification is described, in which branched allylic esters are synthesized directly. Carboxylates were used as nucleophiles and linear allylic phosphates as electrophiles. In some cases the allylic substitution reaction was found to be accompanied by a kinetic resolution process, which causes a change of the enantiomeric excess.

  DOI：

  10.1021/ja411869r

文献信息

• Enantio- and Regioselective Iridium-Catalyzed Allylic Esterification
  作者：Jianping Qu、Lydia Roßberg、Günter Helmchen

  DOI：10.1021/ja411869r

  日期：2014.1.29

  A highly enantioselective and regioselective Ir-catalyzed allylic esterification is described, in which branched allylic esters are synthesized directly. Carboxylates were used as nucleophiles and linear allylic phosphates as electrophiles. In some cases the allylic substitution reaction was found to be accompanied by a kinetic resolution process, which causes a change of the enantiomeric excess.