Methyl methoxy-13-octadecanoat | 108708-56-1

• 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 methoxy-13-octadecanoat
• 英文别名: Methyl-13-methoxy-stearate；methyl 13-methoxyoctadecanoate
• CAS: 108708-56-1
• 化学式: C₂₀H₄₀O₃
• 分子量: 328.536
• InChiKey: DPSODKATPTVCKI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.2
• 重原子数：
  23
• 可旋转键数：
  18
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.95
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  甲醇 、 亚油酸甲酯 在 platinum(IV) oxide 三氟化硼 、 氢气 作用下， 生成 methyl 9-methoxyoctadecanoate 、 12-Methoxystearinsaeuremethylester 、 Methyl methoxy-13-octadecanoat 、 methyl 10-methoxystearate
  参考文献：
  名称：

  Neighboring methoxyl participation in the acid catalyzed methoxylation of methylene-interrupted fatty acids

  摘要：

  The boron trifluoride-methanol derivatization of methyl 9,12-octadecadienoate was studied. This methylene-interrupted diene was reacted with 50% BF3-MeOH for 15 h at 0-5 degrees C and the four monomethoxy and two dimethoxy derivatives thus obtained were analyzed by gas chromatography-mass spectrometry. The only dimethoxy adducts observed were characterized as methyl 9,12-dimethoxyoctadecanoate and methyl 10,13-dimethoxyoctadecanoate. The complete regiospecificity observed in the formation of the dimethoxy adducts is best explained by a common O-methyltetrahydrofuranium ion as the only intermediate under these reaction conditions. (C) 1997 Elsevier Science Ireland Ltd.

  DOI：

  10.1016/s0009-3084(97)00062-5