1,1-Dimethylpyrrolidinium bis(trifluoromethanesulfonyl) imide salt

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯烷类
• 英文名称: 1,1-Dimethylpyrrolidinium bis(trifluoromethanesulfonyl) imide salt
• 英文别名: N-methyl-N-methylpyrrolidinium bis(trifluoromethanesulfonyl)imide；[C1mpyr][NTf2]；PYR11TFSI；Bis(trifluoromethylsulfonyl)azanide;1,1-dimethylpyrrolidin-1-ium；bis(trifluoromethylsulfonyl)azanide;1,1-dimethylpyrrolidin-1-ium
• 化学式: C₂F₆NO₄S₂*C₆H₁₄N
• 分子量: 380.333
• InChiKey: BBBSSFZSOUYKLW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.92
• 重原子数：
  22
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  86
• 氢给体数：
  0
• 氢受体数：
  11

反应信息

• 作为产物：
  描述：

  1-甲基吡咯烷 在 水 作用下， 以 乙腈 为溶剂， 反应 3.0h， 生成 1,1-Dimethylpyrrolidinium bis(trifluoromethanesulfonyl) imide salt
  参考文献：
  名称：

  Pyrrolidinium Imides:  A New Family of Molten Salts and Conductive Plastic Crystal Phases

  摘要：

  A new family of molten salts is reported, based on the N-alkyl, N-alkyl pyrrolidinium cation and the bis-(trifluoromethane sulfonyl)imide anion. Some of the members of the family are molten at room temperature, while the smaller and more symmetrical members have melting points around 100 degrees C. Of the room-temperature molten salt examples, the methyl butyl derivative exhibits the highest conductivity; at 2 x 10(-3) S/cm this is the highest molten salt conductivity observed to date at room temperature among the ammonium salts. This highly conductive behavior is rationalized in terms of the role of cation planarity. The salts also exhibit multiple crystalline phase behavior below their melting points and exhibit significant conductivity in at least their higher temperature crystal phase. For example, the methyl propyl derivative (mp = 12 degrees C) shows ion conductivity of 1 x 10(-6) S/cm at 0 degrees C in its higher temperature crystalline phase.

  DOI：

  10.1021/jp984145s

文献信息

• Eutectic ionic liquid mixtures and their effect on CO₂ solubility and conductivity
  作者：Anna S. Ivanova、Thomas Brinzer、Elliot A. Roth、Victor A. Kusuma、John D. Watkins、Xu Zhou、David Luebke、David Hopkinson、Newell R. Washburn、Sean Garrett-Roe、Hunaid B. Nulwala

  DOI：10.1039/c5ra06561e

  日期：——

  A simple binary system of compounds resembling short-chain versions of popular ionic liquids has been shown to have alloying properties.

  一种简单的化合物二元系统，类似于流行的离子液体的短链版本，已被证明具有合金化特性。
• Pyrrolidinium Imides:  A New Family of Molten Salts and Conductive Plastic Crystal Phases
  作者：D. R. MacFarlane、P. Meakin、J. Sun、N. Amini、M. Forsyth

  DOI：10.1021/jp984145s

  日期：1999.5.1

  A new family of molten salts is reported, based on the N-alkyl, N-alkyl pyrrolidinium cation and the bis-(trifluoromethane sulfonyl)imide anion. Some of the members of the family are molten at room temperature, while the smaller and more symmetrical members have melting points around 100 degrees C. Of the room-temperature molten salt examples, the methyl butyl derivative exhibits the highest conductivity; at 2 x 10(-3) S/cm this is the highest molten salt conductivity observed to date at room temperature among the ammonium salts. This highly conductive behavior is rationalized in terms of the role of cation planarity. The salts also exhibit multiple crystalline phase behavior below their melting points and exhibit significant conductivity in at least their higher temperature crystal phase. For example, the methyl propyl derivative (mp = 12 degrees C) shows ion conductivity of 1 x 10(-6) S/cm at 0 degrees C in its higher temperature crystalline phase.