1-(1,1,1,3,3,3-hexafluoroisopropoxy-methyl)-3-methylimidazolium chloride | 1357476-58-4

• 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-(1,1,1,3,3,3-hexafluoroisopropoxy-methyl)-3-methylimidazolium chloride
• CAS: 1357476-58-4
• 化学式: C₈H₉F₆N₂O*Cl
• 分子量: 298.616
• InChiKey: BIPCKTIMZHEBJB-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -1.22
• 重原子数：
  18.0
• 可旋转键数：
  3.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  18.04
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为产物：
  描述：

  N-甲基咪唑 、 2-(氯甲氧基)-1,1,1,3,3,3-六氟丙烷 反应 72.0h， 以91%的产率得到1-(1,1,1,3,3,3-hexafluoroisopropoxy-methyl)-3-methylimidazolium chloride
  参考文献：
  名称：

  Synthesis and X-ray crystal structure of fluorous imidazolium salts

  摘要：

  Synthesis of two salts involving CH(2)O spacer between the imidazole nitrogen and hexafluoroisopropyl group in the fluorous imidazolium cations is reported. Such an insertion would result in the formation of alpha-ammonium ether. The two fluorous imidazolium salts involve one or two -CH(2)OCH(CF(3))(2) groups attached to the imidazole nitrogen atoms. These products were synthesized from the reaction between methyimidazole and imidazole as nucleophiles and sevochlorane, ClCH(2)OCH(CF(3))(2), as electrophile, in different molar ratios. The resulting products have been characterized by (1)H, (13)C, and (19)F NMR and FTIR spectroscopy. Also, the single crystal X-ray diffraction analysis for the symmetrically substituted imidazolium product is presented. The preliminary animal tests indicated no anesthetic property but the two tested salts were found to behave as calmative.

  DOI：

  10.1007/bf03246551