(2E)-4-hexyl-2,4-pentadienoic acid

• 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: (2E)-4-hexyl-2,4-pentadienoic acid
• 英文别名: (E)-4-methylidenedec-2-enoic acid
• 化学式: C₁₁H₁₈O₂
• 分子量: 182.263
• InChiKey: CRPAFXBWLBEZJQ-CMDGGOBGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  13
• 可旋转键数：
  7
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  二氧化碳 、 2-hexyl-1-butene-3-yne 在 bis(1,5-cyclooctadiene)nickel (0) 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 四氢呋喃 为溶剂， 反应 2.0h， 以68%的产率得到(2E)-4-hexyl-2,4-pentadienoic acid
  参考文献：
  名称：

  Nickel-Mediated Regio- and Chemoselective Carboxylation of Alkynes in the Presence of Carbon Dioxide

  摘要：

  Alkynes are carboxylated in a highly regio- and chemoselective manner in the presence of Ni(cod)(2), DBU, and CO2 to give the carboxylated products in good yields. The reaction was carried out under very mild conditions (CO2 1 atm, 0 degrees C) in the presence of a stoichiometric amount of alkynes, conjugated enynes, or diynes. The high selectivity observed in the reaction would be explained in terms of the stability and the reactivity of the intermediates.

  DOI：

  10.1021/jo982443f

文献信息

• Nickel-Mediated Regio- and Chemoselective Carboxylation of Alkynes in the Presence of Carbon Dioxide
  作者：Shinichi Saito、Satomi Nakagawa、Toru Koizumi、Kyoko Hirayama、Yoshinori Yamamoto

  DOI：10.1021/jo982443f

  日期：1999.5.1

  Alkynes are carboxylated in a highly regio- and chemoselective manner in the presence of Ni(cod)(2), DBU, and CO2 to give the carboxylated products in good yields. The reaction was carried out under very mild conditions (CO2 1 atm, 0 degrees C) in the presence of a stoichiometric amount of alkynes, conjugated enynes, or diynes. The high selectivity observed in the reaction would be explained in terms of the stability and the reactivity of the intermediates.