mono-6-deoxy-6-(3-methylidmiazolium)-β-cyclodextrin tosylate

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: mono-6-deoxy-6-(3-methylidmiazolium)-β-cyclodextrin tosylate
• 英文别名: (1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36R,37R,38R,39R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R)-5,10,15,20,25,30-hexakis(hydroxymethyl)-35-[(3-methylimidazol-3-ium-1-yl)methyl]-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.23,6.28,11.213,16.218,21.223,26.228,31]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol;4-methylbenzenesulfonate
• 化学式: C₇H₇O₃S*C₄₆H₇₅N₂O₃₄
• 分子量: 1371.29
• InChiKey: QNOVIVFXQMPDJF-JAFIQQQWSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -14.0
• 重原子数：
  93
• 可旋转键数：
  8
• 环数：
  23.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  608
• 氢给体数：
  20
• 氢受体数：
  37

反应信息

• 作为产物：
  描述：

  N-甲基咪唑 、 mono-6-deoxy-6-(p-toluenesulfonyl)-β-cyclodextrin 以 N,N-二甲基甲酰胺 为溶剂， 反应 48.0h， 以99%的产率得到mono-6-deoxy-6-(3-methylidmiazolium)-β-cyclodextrin tosylate
  参考文献：
  名称：

  Synthesis of ammonium substituted β-cyclodextrins for enantioseparation of anionic analytes

  摘要：

  New ammonium functionalized cyclodextrins can be prepared in excellent yields by displacement of 6-tosyl-beta-cyclodextrin with alkylimidazoles, pyridine or alkylamines and achieve excellent enantioseparation of dansyl amino acids presumably due to electrostatic interactions between the cationic host and anionic guest. (C) 2005 Published by Elsevier Ltd.

  DOI：

  10.1016/j.tetlet.2005.01.059