| 1395501-99-1

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• CAS: 1395501-99-1
• 化学式: C₂₆H₄₈O₅
• 分子量: 440.664
• InChiKey: QLCRZEAOCUWSAC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.74
• 重原子数：
  31.0
• 可旋转键数：
  20.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  53.99
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  在 5%-palladium/activated carbon 、 水 、 氢气 、 lithium hydroxide 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 7.0h， 生成
  参考文献：
  名称：

  欧米茄功能化脂肪酸，醇和醚通过烯烃复分解反应

  摘要：

  AbstractMethyl 17‐hydroxy stearate was converted to methyl octadec‐16‐enoate using copper sulfate adsorbed on silica gel. This compound served as a useful substrate for the olefin metathesis reaction. As a result, several fatty acids with novel functional groups at the ω‐end were prepared: a glyceryl ether attached at the 18‐carbon, an aromatic fatty acid from eugenol, and a ferrocenyl fatty acid. By employing the unsaturated fatty alcohol, other groups were introduced, namely the terminal fluoride, bromide, and iodide were prepared, as was a thiol derivative. The penultimate and omega olefins reported here should serve as building blocks that allow fatty acids to make a greater contribution to a range of emerging technological areas.

  DOI：

  10.1007/s11746-012-2015-0
• 作为产物：
  描述：

  甲基17-羟基硬脂酸酯 在 吡啶 、 RuCl2(1,3-dimesityl-imidazolidin-2-yl)(PCy3)(=CHPh) 、 titanium(IV) isopropylate 、 4-二甲氨基吡啶 、 copper sulfate/silica reagent 作用下， 以 二氯甲烷 、 甲苯 为溶剂， 反应 53.0h， 生成
  参考文献：
  名称：

  欧米茄功能化脂肪酸，醇和醚通过烯烃复分解反应

  摘要：

  AbstractMethyl 17‐hydroxy stearate was converted to methyl octadec‐16‐enoate using copper sulfate adsorbed on silica gel. This compound served as a useful substrate for the olefin metathesis reaction. As a result, several fatty acids with novel functional groups at the ω‐end were prepared: a glyceryl ether attached at the 18‐carbon, an aromatic fatty acid from eugenol, and a ferrocenyl fatty acid. By employing the unsaturated fatty alcohol, other groups were introduced, namely the terminal fluoride, bromide, and iodide were prepared, as was a thiol derivative. The penultimate and omega olefins reported here should serve as building blocks that allow fatty acids to make a greater contribution to a range of emerging technological areas.

  DOI：

  10.1007/s11746-012-2015-0