1-butyl-3-methyltriazolium methylsulphonate | 1469461-70-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1-butyl-3-methyltriazolium methylsulphonate
• CAS: 1469461-70-8
• 化学式: CH₃O₃S*C₇H₁₄N₃
• 分子量: 235.307
• InChiKey: JOEJYSQYISTWKO-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -0.33
• 重原子数：
  15.0
• 可旋转键数：
  3.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  78.9
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为产物：
  描述：

  1-butyl-3-methyl-1,2,3-triazolium iodide 、 alkaline earth salt of/the/ methylsulfuric acid 以 甲醇 、 水 为溶剂， 以92%的产率得到1-butyl-3-methyltriazolium methylsulphonate
  参考文献：
  名称：

  Azolium-based systems: application of an anion exchange resin (A- form) method and 1H NMR analysis of the charged-assisted (C–H)+•anion hydrogen bonds

  摘要：

  The counteranion exchange of quaternary 1,2,3-triazolium salts was examined using a simple method that permitted halide ions to be swap for a variety of anions using an anion exchange resin (A(_)form). The method was applied to 1,2,3-triazolium-based ionic liquids and the iodide-to- anion exchange proceeded in excellent to quantitative yields, concomitantly removing halide impurities. Additionally, an anion exchange resin (N3(_)form) was used to obtain the benzyl azide from benzyl halide under mild reaction. Likewise, following a similar protocol, bis(azidomethyl)arenes were also synthesized in excellent yields. The results of a proton NMR spectroscopic study of simple azolium-based ion pairs are discussed, with attention focused on the significance of the charged-assisted (C-H)(+...) anion hydrogen bonds of simple azolium systems such as 1-butyl-3-methylimidazolium and 1-benzyl-3-methyl-1,2,3-triazolium salts.

  DOI：

  10.3998/ark.5550190.p008.203