1-(2-Ethoxyethyl)-2,3-dimethylimidazol-3-ium;bromide | 1250377-29-7

• 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-(2-Ethoxyethyl)-2,3-dimethylimidazol-3-ium;bromide
• CAS: 1250377-29-7
• 化学式: Br*C₉H₁₇N₂O
• 分子量: 249.151
• InChiKey: PQTSYJPRHPUXMG-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -2.34
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  18
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-(2-Ethoxyethyl)-2,3-dimethylimidazol-3-ium;bromide 、 bis(trifluoromethane)sulfonimide lithium 以 水 为溶剂， 反应 3.0h， 以80%的产率得到1-ethoxyethyl-2,3-dimethylimidazolium bis(trifluoromethanesulfonyl)imide
  参考文献：
  名称：

  Ether-Bond-Containing Ionic Liquids and the Relevance of the Ether Bond Position to Transport Properties

  摘要：

  The ionic liquids (ILs) 1-ethoxyethyl-2,3-dimethylimidazolium bis(trifluoromethanesulfonyl)imide, [EtO-(CH2)(2)MMI][Tf2N], and N-(ethoxyethyl)-N-methylmorpholinium bis(trifluoromethanesulfonyl)imide, [EtO(CH2)(2)MMor][Tf2N] were synthesized, and relevant properties, such as thermal stability, density, viscosity, electrochemical behavior, ionic conductivity, and self-diffusion coefficients for both ionic species, were measured and compared with those of their alkyl counterparts, 1-n-butyl-2,3-dimethylimidazolium bis(trifluoromethanesulfonyl)imide, [BMMI][Tf2N], and N-n-butyl-N-methylpiperidinium bis(trifluoromethanesulfonyl)imide,[BMP][Tf2N] and N-n-butyl-N-methylmorpholinium bis(trilfuoromethanesulfonyl)imide [BMMor][Tf2N][. This comparison was done to evaluate the effects caused by the presence of the ether bond in either the side chain or in the organic cation ring. The salt, LiTf2N, was added to the systems to estimate IL behavior with regard to lithium cation transport. Pure [EtO(CH2)(2)MMI][Tf2N] and their LiTf2N solutions showed low viscosity and the highest conductivity among the ILs studied. The H-R (AC conductivity/NMR calculated conductivity ratio) values showed that, after addition of LiTf2N, ILs containing the ether bond seemed to have a greater number of charged species. Structural reasons could explain these high observed HR values for [EtO(CH2)(2)MMor][Tf2N].

  DOI：

  10.1021/jp104419k
• 作为产物：
  描述：

  1,2-二甲基咪唑 、 2-溴乙基乙基醚 反应 3.0h， 以85%的产率得到1-(2-Ethoxyethyl)-2,3-dimethylimidazol-3-ium;bromide
  参考文献：
  名称：

  Ether-Bond-Containing Ionic Liquids and the Relevance of the Ether Bond Position to Transport Properties

  摘要：

  The ionic liquids (ILs) 1-ethoxyethyl-2,3-dimethylimidazolium bis(trifluoromethanesulfonyl)imide, [EtO-(CH2)(2)MMI][Tf2N], and N-(ethoxyethyl)-N-methylmorpholinium bis(trifluoromethanesulfonyl)imide, [EtO(CH2)(2)MMor][Tf2N] were synthesized, and relevant properties, such as thermal stability, density, viscosity, electrochemical behavior, ionic conductivity, and self-diffusion coefficients for both ionic species, were measured and compared with those of their alkyl counterparts, 1-n-butyl-2,3-dimethylimidazolium bis(trifluoromethanesulfonyl)imide, [BMMI][Tf2N], and N-n-butyl-N-methylpiperidinium bis(trifluoromethanesulfonyl)imide,[BMP][Tf2N] and N-n-butyl-N-methylmorpholinium bis(trilfuoromethanesulfonyl)imide [BMMor][Tf2N][. This comparison was done to evaluate the effects caused by the presence of the ether bond in either the side chain or in the organic cation ring. The salt, LiTf2N, was added to the systems to estimate IL behavior with regard to lithium cation transport. Pure [EtO(CH2)(2)MMI][Tf2N] and their LiTf2N solutions showed low viscosity and the highest conductivity among the ILs studied. The H-R (AC conductivity/NMR calculated conductivity ratio) values showed that, after addition of LiTf2N, ILs containing the ether bond seemed to have a greater number of charged species. Structural reasons could explain these high observed HR values for [EtO(CH2)(2)MMor][Tf2N].

  DOI：

  10.1021/jp104419k