1,3-dihexyl-1H-imidazol-3-ium formate | 1245619-99-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1,3-dihexyl-1H-imidazol-3-ium formate
• CAS: 1245619-99-1
• 化学式: CHO₂*C₁₅H₂₉N₂
• 分子量: 282.426
• InChiKey: SXICQCFHNROIIP-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  20.0
• 可旋转键数：
  10.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  48.94
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为产物：
  描述：

  聚合甲醛 、 甲酸 、 正己胺 、 草酸醛 以 甲醇 、 水 为溶剂， 反应 7.0h， 以79%的产率得到1,3-dihexyl-1H-imidazol-3-ium formate
  参考文献：
  名称：

  Efficient Synthesis of 1,3-Dialkylimidazolium-Based Ionic Liquids: The Modified Continuous Radziszewski Reaction in a Microreactor Setup

  摘要：

  By making use of a modified Radziszewski reaction, it is demonstrated that water-soluble 1,3-dialkylimidazolium-based ionic liquids can be produced in good yields (70-90%) and purities (>95%) starting from readily available, cost-effective monoalkyl-amines, glyoxal, formaldehyde, and mineral or organic acids. The homosubstituted 1,3-dialkylimidazolium salts feature high thermal stabilities similar to those of their heterosubstituted counterparts, and relatively low viscosities, thus fulfilling the requirements for solvent application. The effect of various parameters has been studied with the goal of improving yields for both the batchwise and continuous synthesis (making use of a microreactor setup), allowing for the production of a wide variety of ionic liquids and the introduction of functionalities. The applicability of these ionic liquids is demonstrated on the example of cellulose dissolution and the dehydration of fructose to 5-hydroxymethylfurfural.

  DOI：

  10.1021/op100055f