(2-methoxycarbonylethyl)trimethylammonium chloride | 16332-33-5

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: (2-methoxycarbonylethyl)trimethylammonium chloride
• 英文别名: acetylocholine chloride；acetylcholine chloride；(2-methoxycarbonyl-ethyl)-trimethyl-ammonium; chloride；(2-Methoxycarbonyl-aethyl)-trimethyl-ammonium; Chlorid；(3-Methoxy-3-oxopropyl)-trimethylazanium;chloride
• CAS: 16332-33-5
• 化学式: C₇H₁₆NO₂*Cl
• 分子量: 181.663
• InChiKey: OIQYAVAXOMFABX-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -2.74
• 重原子数：
  11
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.86
• 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：

  (2-methoxycarbonylethyl)trimethylammonium chloride 、 异丙醇 在 盐酸 作用下， 生成 (2-Isopropoxycarbonyl-ethyl)-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：

  3-氯丙酸甲酯 、 三甲胺 以 甲醇 为溶剂， 反应 5.0h， 生成 (2-methoxycarbonylethyl)trimethylammonium 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

• Lanthanide-Based Organic Salts: Synthesis, Characterization, and Cytotoxicity Studies
  作者：Andreia Forte、Sandra Gago、Celso Alves、Joana Silva、Joana Alves、Rui Pedrosa、César A. T. Laia、Isabel M. Marrucho、Luis C. Branco

  DOI：10.3390/molecules28207152

  日期：——

  The formulation of magnetic ionic liquids (MILs) or organic salts based on lanthanides as anions has been explored. In this work, a set of choline-family-based salts, and two other, different cation families, were combined with Gadolinium(III) and Terbium(III) anions. Synthetic methodologies were previously optimized, and all organic salts were obtained as solids with melting temperatures higher than

  人们已经探索了基于镧系元素作为阴离子的磁性离子液体（MIL）或有机盐的配方。在这项工作中，一组基于胆碱家族的盐和另外两个不同的阳离子家族与钆 (III) 和铽 (III) 阴离子结合。合成方法先前经过优化，所有有机盐均以固体形式获得，熔化温度高于 100 °C。正如预期的那样，Gd (III) 盐获得的磁矩小于 Tb (III) 基化合物获得的磁矩。 Gd (III) 和 Tb (III) 磁性盐的值分别在 6.55–7.30 MB 和 8.22–9.34 MB 范围内。重要的是要注意镧系元素获得的磁矩与阳离子的结构特征之间的相关性。还使用 3T3、293T、Caco2 和 HepG2 细胞评估了镧系盐的细胞毒性，结果表明大多数制备的化合物没有毒性。
• Strack; Foersterling, Chemische Berichte, 1943, vol. 76, p. 15,18
  作者：Strack、Foersterling

  DOI：——

  日期：——
• Strack; Hentsch, Chemische Berichte, 1951, vol. 84, p. 125,127
  作者：Strack、Hentsch

  DOI：——

  日期：——
• 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.