1-ethyl-3-[(2S)-1-methylpyrrolidin-2-yl]pyridinium bis(trifluormethylsulfonyl)imide | 1467702-07-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 1-ethyl-3-[(2S)-1-methylpyrrolidin-2-yl]pyridinium bis(trifluormethylsulfonyl)imide
• CAS: 1467702-07-3
• 化学式: C₂F₆NO₄S₂*C₁₂H₁₉N₂
• 分子量: 471.445
• InChiKey: KKUOKZFXYHRHDJ-YDALLXLXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.82
• 重原子数：
  29.0
• 可旋转键数：
  4.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  89.5
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为产物：
  描述：

  烟碱 以 二氯甲烷 、 氯仿 、 水 为溶剂， 反应 18.0h， 生成 1-ethyl-3-[(2S)-1-methylpyrrolidin-2-yl]pyridinium bis(trifluormethylsulfonyl)imide
  参考文献：
  名称：

  Chiral ionic liquids based on nicotine for the chiral recognition of carboxylic acids

  摘要：

  The synthesis of enantiopure ionic liquids based on (-)-nicotine is discussed. The desired compounds were prepared in good yields from (-)-nicotine via quaternization of the pyridine ring of (-)-nicotine with MeI and EtBr. After anion metathesis the ionic liquids were investigated as chiral solvating agents and showed a splitting of the signals of Mosher's acid and mandelic acid in the H-1 and F-19 NMR spectra. In addition to aprotic solvents it was also possible to use methanol in the experiments. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2013.07.021