(5-Methoxy-5-oxopentyl)trimethylazanium chloride

• 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: (5-Methoxy-5-oxopentyl)trimethylazanium chloride
• 英文别名: (5-methoxy-5-oxopentyl)-trimethylazanium;chloride
• 化学式: C₉H₂₀NO₂*Cl
• 分子量: 209.716
• InChiKey: MRWJMLKZQXCKNE-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -1.96
• 重原子数：
  13
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  乙醇 、 (5-Methoxy-5-oxopentyl)trimethylazanium chloride 在 盐酸 作用下， 生成 (4-Ethoxycarbonyl-butyl)-trimethyl-ammonium; chloride
  参考文献：
  名称：

  Pyrolysis reaction of carpronium chloride and its structurally related compounds. 1—electronic and steric effects on the orientation of the pyrolysis reaction

  摘要：

  AbstractThe pyrolysis reaction of carpronium chloride and its structurally related compounds, which were trimethyl‐aminoalkyl acid alkyl esters involving two, three or four skeletal methylene groups, have been investigated by pyrolysis gas chromatography mass spectrometry. The results indicated that the reaction modes of these ammonium compounds were essentially dependent on the number of skeletal methylene groups, and secondarily on the length of the carbon chain of the ester group. These phenomena have been interpreted in terms of electronic and steric contributions for the ionic elimination reaction. The electronic and steric effects on the orientation of the reaction are discussed on the basis of the atomic population calculated by the CNDO/2 method.

  DOI：

  10.1002/oms.1210180107
• 作为产物：
  描述：

  5-氯戊酸甲酯 、 三甲胺 以 甲醇 为溶剂， 生成 (5-Methoxy-5-oxopentyl)trimethylazanium chloride
  参考文献：
  名称：

  Pyrolysis reaction of carpronium chloride and its structurally related compounds. 1—electronic and steric effects on the orientation of the pyrolysis reaction

  摘要：

  AbstractThe pyrolysis reaction of carpronium chloride and its structurally related compounds, which were trimethyl‐aminoalkyl acid alkyl esters involving two, three or four skeletal methylene groups, have been investigated by pyrolysis gas chromatography mass spectrometry. The results indicated that the reaction modes of these ammonium compounds were essentially dependent on the number of skeletal methylene groups, and secondarily on the length of the carbon chain of the ester group. These phenomena have been interpreted in terms of electronic and steric contributions for the ionic elimination reaction. The electronic and steric effects on the orientation of the reaction are discussed on the basis of the atomic population calculated by the CNDO/2 method.

  DOI：

  10.1002/oms.1210180107

文献信息

• Pyrolysis reaction of carpronium chloride and its structurally related compounds. 1—electronic and steric effects on the orientation of the pyrolysis reaction
  作者：Kazumi Ohya、Yasuhiko Yotsui、Kenichi Yamazaki、Mitsuji Sano

  DOI：10.1002/oms.1210180107

  日期：1983.1

  AbstractThe pyrolysis reaction of carpronium chloride and its structurally related compounds, which were trimethyl‐aminoalkyl acid alkyl esters involving two, three or four skeletal methylene groups, have been investigated by pyrolysis gas chromatography mass spectrometry. The results indicated that the reaction modes of these ammonium compounds were essentially dependent on the number of skeletal methylene groups, and secondarily on the length of the carbon chain of the ester group. These phenomena have been interpreted in terms of electronic and steric contributions for the ionic elimination reaction. The electronic and steric effects on the orientation of the reaction are discussed on the basis of the atomic population calculated by the CNDO/2 method.