methyl 9-phenyl-10-hydroxyoctadecanoate | 1206904-12-2

• 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: methyl 9-phenyl-10-hydroxyoctadecanoate
• CAS: 1206904-12-2
• 化学式: C₂₅H₄₂O₃
• 分子量: 390.607
• InChiKey: IOBJEDYANMJHEK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.79
• 重原子数：
  28.0
• 可旋转键数：
  17.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.72
• 拓扑面积：
  46.53
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为产物：
  描述：

  苯基锂 、 (Z)-9,10-epoxyoctadecanoic acid methyl ester 在 copper(l) iodide 、 三氟化硼乙醚 作用下， 以 乙醚 、 二丁醚 为溶剂， 以169 mg的产率得到methyl 9-phenyl-10-hydroxyoctadecanoate
  参考文献：
  名称：

  油酸甲酯向支链羟基脂肪酸衍生物的转化

  摘要：

  AbstractAs part of a project to develop new and expanded uses of oilseed products and by‐products (such as biodiesel, fuel additives, and lubricants), studies were conducted on the synthetic conversion of oleic acid (in the ester form) to branched‐chain fatty acid ester derivatives. In these studies, methyl oleate was epoxidized and subsequently treated with four different organocuprate reagents in the presence of boron trifluoride diethyl etherate to produce novel branched‐chain hydroxy acid derivatives. For each reaction, the two distinct isomeric products (methyl 9‐alkyl‐10‐hydroxyoctadecanoate and methyl 9‐hydroxy‐10‐alkyloctadecanoate) were isolated in the pure forms. Details of the synthesis and characterization (GC–MS, NMR, and differential scanning calorimetry) of these compounds will be discussed.

  DOI：

  10.1007/s11746-009-1441-0