3-butyl-2-((1R,2S,3R,4R,5R)-1,2,3,4,5,6-hexahydroxyhexyl-1-13C)-1-methyl-1H-imidazol-3-ium acetate | 1097202-48-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-butyl-2-((1R,2S,3R,4R,5R)-1,2,3,4,5,6-hexahydroxyhexyl-1-13C)-1-methyl-1H-imidazol-3-ium acetate
• CAS: 1097202-48-6
• 化学式: C₂H₃O₂*C₁₄H₂₇N₂O₆
• 分子量: 379.412
• InChiKey: YHHQZVJGBLNVBZ-XVSZBCKDSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -3.66
• 重原子数：
  26.0
• 可旋转键数：
  9.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  170.32
• 氢给体数：
  6.0
• 氢受体数：
  9.0

反应信息

• 作为产物：
  描述：

  ¹³C-C1-glucopyranose 、 1-丁基-3-甲基咪唑乙酸盐 反应 168.0h， 生成 3-butyl-2-((1S,2S,3R,4R,5R)-1,2,3,4,5,6-hexahydroxyhexyl-1-13C)-1-methyl-1H-imidazol-3-ium acetate 、 3-butyl-2-((1R,2S,3R,4R,5R)-1,2,3,4,5,6-hexahydroxyhexyl-1-13C)-1-methyl-1H-imidazol-3-ium acetate
  参考文献：
  名称：

  Side reaction of cellulose with common 1-alkyl-3-methylimidazolium-based ionic liquids

  摘要：

  Ionic liquids with 1-alkyl-3-methyl-imidazolium cations react at C-2 with cellulose at its reducing end, forming a carbon-carbon bond. The reaction is strongly catalyzed by bases, such as the commonly present impurities in ILs, imidazole. and 1-methylimidazole. The direct reaction was verified by means of C-13-isotopical labeling and with the help of an IL that carried a fluorescence label which was transferred to cellulose upon the reaction. In solutions of cellulose in alkylmethylimidazolium ILs, both the ionic liquid and the cellulose are evidently not inert. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2008.10.052