1-(4-(methyl sulfonato)butyl)-3-methyl-1H-imidazol-3-ium methyl sulfate | 1168135-28-1

• 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-(4-(methyl sulfonato)butyl)-3-methyl-1H-imidazol-3-ium methyl sulfate
• CAS: 1168135-28-1
• 化学式: CH₃O₄S*C₉H₁₇N₂O₃S
• 分子量: 344.41
• InChiKey: DQBNJIHQQHGBSK-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -0.84
• 重原子数：
  21.0
• 可旋转键数：
  7.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  118.61
• 氢给体数：
  0.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  苯乙酸 、 1-(4-(methyl sulfonato)butyl)-3-methyl-1H-imidazol-3-ium methyl sulfate 以 甲醇 为溶剂， 反应 4.0h， 以86%的产率得到苯乙酸甲酯
  参考文献：
  名称：

  Alkyl Sulfonate Functionalized Ionic Liquids: Synthesis, Properties, and Their Application in Esterification

  摘要：

  Ionic liquids based on alkyl sulfate anions and alkyl sulfonate functionalized cations were prepared from commercially available and cheap materials and their thermal-instability properties were studied in detail. These ionic liquids were active catalysts for esterification and they gave moderate to high yields. The catalytic performance was found lobe much better than that of conventional non-cation functionalized ionic liquids and close to sulfonic acid functionalized ionic liquids. The catalytic process in this reaction was investigated by electrospray ionization mass spectrometry and a plausible reaction mechanism is suggested.

  DOI：

  10.1016/s1872-2067(10)60178-7
• 作为产物：
  描述：

  N-甲基咪唑 、 1,4-丁磺酸内酯 、 硫酸二甲酯 在 lewis base 作用下， 生成 1-(4-(methyl sulfonato)butyl)-3-methyl-1H-imidazol-3-ium methyl sulfate
  参考文献：
  名称：

  Alkyl Sulfonate Functionalized Ionic Liquids: Synthesis, Properties, and Their Application in Esterification

  摘要：

  Ionic liquids based on alkyl sulfate anions and alkyl sulfonate functionalized cations were prepared from commercially available and cheap materials and their thermal-instability properties were studied in detail. These ionic liquids were active catalysts for esterification and they gave moderate to high yields. The catalytic performance was found lobe much better than that of conventional non-cation functionalized ionic liquids and close to sulfonic acid functionalized ionic liquids. The catalytic process in this reaction was investigated by electrospray ionization mass spectrometry and a plausible reaction mechanism is suggested.

  DOI：

  10.1016/s1872-2067(10)60178-7
• 作为试剂：
  描述：

  甲醇 、 富马酸 在 1-(4-(methyl sulfonato)butyl)-3-methyl-1H-imidazol-3-ium methyl sulfate 作用下， 反应 4.0h， 以90%的产率得到富马酸二甲酯
  参考文献：
  名称：

  Alkyl Sulfonate Functionalized Ionic Liquids: Synthesis, Properties, and Their Application in Esterification

  摘要：

  Ionic liquids based on alkyl sulfate anions and alkyl sulfonate functionalized cations were prepared from commercially available and cheap materials and their thermal-instability properties were studied in detail. These ionic liquids were active catalysts for esterification and they gave moderate to high yields. The catalytic performance was found lobe much better than that of conventional non-cation functionalized ionic liquids and close to sulfonic acid functionalized ionic liquids. The catalytic process in this reaction was investigated by electrospray ionization mass spectrometry and a plausible reaction mechanism is suggested.

  DOI：

  10.1016/s1872-2067(10)60178-7