4,5-dicyano-2-(trifluoromethyl)imidazole

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 4,5-dicyano-2-(trifluoromethyl)imidazole
• 英文别名: 4,5-diethynyl-2-(trifluoromethyl)-1H-imidazole
• 化学式: C₈H₃F₃N₂
• 分子量: 184.12
• InChiKey: CISUOLBYEFZAPT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  28.7
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4,5-dicyano-2-(trifluoromethyl)imidazole 在 lithium carbonate 作用下， 以 乙醚 、 水 为溶剂， 以2.39 g的产率得到lithium 4,5-dicyano-2-(trifluoromethyl)imidazole
  参考文献：
  名称：

  New type of imidazole based salts designed specifically for lithium ion batteries

  摘要：

  In this manuscript we announce new type of "tailored" imidazole-derived salts designed. synthesized and tested for application in lithium conductive electrolytes. Basic characterization of the structure of described materials has been made by Raman, IR and NMR ((13)C NMR, (19)F NMR) techniques. DSC and CV studies showed thermal stability of all salts over 200 degrees C and electrochemical stability in liquid and solid polymer solvents up to +4.6 V vs. metallic lithium anode and Al collectors. Such properties proved applicability of these salts as lithium electrolytes for modern types of lithium ion batteries. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.electacta.2009.05.008
• 作为产物：
  描述：

  三氟乙酸酐 、 二氨基马来腈 以 1,4-二氧六环 为溶剂， 反应 3.0h， 生成 4,5-dicyano-2-(trifluoromethyl)imidazole
  参考文献：
  名称：

  New type of imidazole based salts designed specifically for lithium ion batteries

  摘要：

  In this manuscript we announce new type of "tailored" imidazole-derived salts designed. synthesized and tested for application in lithium conductive electrolytes. Basic characterization of the structure of described materials has been made by Raman, IR and NMR ((13)C NMR, (19)F NMR) techniques. DSC and CV studies showed thermal stability of all salts over 200 degrees C and electrochemical stability in liquid and solid polymer solvents up to +4.6 V vs. metallic lithium anode and Al collectors. Such properties proved applicability of these salts as lithium electrolytes for modern types of lithium ion batteries. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.electacta.2009.05.008