oleyl-β-picolinyl ester

• 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: oleyl-β-picolinyl ester
• 英文别名: Pyridin-3-ylmethyl octadec-9-enoate
• 化学式: C₂₄H₃₉NO₂
• 分子量: 373.579
• InChiKey: FBPJZADLPOSZEO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8
• 重原子数：
  27
• 可旋转键数：
  18
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  39.2
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  3-吡啶甲醇 、 油酸 在 4-二甲氨基吡啶 、 O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate 、 N,N-二异丙基乙胺 作用下， 生成 oleyl-β-picolinyl ester
  参考文献：
  名称：

  Triazolopyridine, a new derivative for the structural determination of fatty acids by gas chromatography/mass spectrometry

  摘要：

  AbstractTriazolopyridine is proposed as a new derivative for the location of branches and double bonds in fatty acids. It is compared with previously used derivatives and found to be clearly superior to the pyrrolidide and slightly superior to the β‐picolinyl ester with regard to the structure‐specific fragmentation pattern. It is prepared by reacting the activated acid with 2‐hydrazinopyridine followed by cyclization.

  DOI：

  10.1002/oms.1210230803

文献信息

• Triazolopyridine, a new derivative for the structural determination of fatty acids by gas chromatography/mass spectrometry
  作者：Walter Vetter、Walter Meister、Gottfried Oesterhelt

  DOI：10.1002/oms.1210230803

  日期：1988.8

  AbstractTriazolopyridine is proposed as a new derivative for the location of branches and double bonds in fatty acids. It is compared with previously used derivatives and found to be clearly superior to the pyrrolidide and slightly superior to the β‐picolinyl ester with regard to the structure‐specific fragmentation pattern. It is prepared by reacting the activated acid with 2‐hydrazinopyridine followed by cyclization.