3-amino-N,N-diethyl-N-[2-(methylsulfonamido)ethyl]propaneammonium methanesulfonate | 1392481-63-8

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机硫酸及其衍生物
• 英文名称: 3-amino-N,N-diethyl-N-[2-(methylsulfonamido)ethyl]propaneammonium methanesulfonate
• 英文别名: 3-Aminopropyl-diethyl-[2-(methanesulfonamido)ethyl]azanium;methanesulfonate
• CAS: 1392481-63-8
• 化学式: CH₃O₃S*C₁₀H₂₆N₃O₂S
• 分子量: 347.5
• InChiKey: HBBCFCQDVKGKSA-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -1.1
• 重原子数：
  21
• 可旋转键数：
  9
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  146
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  tert-butyl 3-(diethylamino)propylcarbamate 在 盐酸 作用下， 以 甲醇 、 乙醇 、 水 为溶剂， 反应 48.0h， 生成 3-amino-N,N-diethyl-N-[2-(methylsulfonamido)ethyl]propaneammonium methanesulfonate
  参考文献：
  名称：

  Synthesis and Characterization of Ammonium-, Pyridinium-, and Pyrrolidinium-Based Sulfonamido Functionalized Ionic Liquids

  摘要：

  New homologous ammonium-, pyridinium-, and pyrrolidinium-based sulfonamido functionalized ionic liquids have been synthesized in two steps using monoethanolamine, methanesulfonyl chloride, and tosyl chloride as precursors with ethanol as solvent. Attempts to synthesize dual amino functionalized ionic liquid containing both a primary and a secondary amine group in the same ionic liquid are also reported. All functionalized ionic liquids were characterized by H-1 and C-13 NMR. Melting point and thermal stability of the functionalized ionic liquids were measured by differential scanning calorimetry and thermogravimetric analysis.

  DOI：

  10.1080/00397911.2011.582597