| 1395502-00-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• CAS: 1395502-00-7
• 化学式: C₂₄H₄₇IO₃
• 分子量: 510.54
• InChiKey: SZRFLJSBFHSTIV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.83
• 重原子数：
  28.0
• 可旋转键数：
  20.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  27.69
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  在 四丁基氟化铵 作用下， 以 二甲基亚砜 为溶剂， 以63%的产率得到2,2-dimethyl-4-(octadec-17-enoxymethyl)-1,3-dioxolane
  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 、 1,2-二溴四氯乙烷 、 5%-palladium/activated carbon 、 copper sulfate/silica reagent 、 水 、 氢气 、 三乙胺 、 三苯基膦 、 sodium iodide 、 lithium hydroxide 作用下， 以 四氢呋喃 、 甲醇 、 二氯甲烷 、 1,2-二氯乙烷 、 丙酮 、 甲苯 为溶剂， 反应 61.0h， 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