1-n-butyronitrile-2,3-dimethylimidazolium bis(trifluoromethanesulfonimide) | 1234261-38-1

• 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-n-butyronitrile-2,3-dimethylimidazolium bis(trifluoromethanesulfonimide)
• 英文别名: 1-n-decyl-2,3-dimethylimidazolium bis((trifluoromethyl)sulfonyl)imide；1-n-decyl-2,3-dimethylimidazolium bis(trifluoromethanesulfonyl)imide
• CAS: 1234261-38-1
• 化学式: C₂F₆NO₄S₂*C₁₅H₂₉N₂
• 分子量: 517.557
• InChiKey: HDELRWHQTRWLFM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.82
• 重原子数：
  32.0
• 可旋转键数：
  11.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.82
• 拓扑面积：
  91.19
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为产物：
  描述：

  1-癸基-2,3-二甲基溴化咪唑鎓 、 bis(trifluoromethane)sulfonimide lithium 以 水 为溶剂， 反应 4.0h， 生成 1-n-butyronitrile-2,3-dimethylimidazolium bis(trifluoromethanesulfonimide)
  参考文献：
  名称：

  1-Alkyl-2,3-dimethylimidazolium bis(trifluoromethanesulfonyl)imide ionic liquids as highly safe electrolyte for Li/LiFePO4 battery

  摘要：

  Several 1-alkyl-2,3-dimethylimidazolium bis(trifluoromethanesulfonyl)imide ionic liquids (alkyl-DMimTFSI) were prepared by changing carbon chain lengths and configuration of the alkyl group, and their electrochemical properties and compatibility with Li/LiFePO4 battery electrodes were investigated in detail. Experiments indicated the type of ionic liquid has a wide electrochemical window (-0.16 to 5.2V vs. Li+/Li) and are theoretically feasible as an electrolyte for batteries with metallic lithium as anode. Addition of vinylene carbonate (VC) improves the compatibility of alkyl-DMimTFSI-based electrolytes towards lithium anode and LiFePO4 cathode, and enhanced the formation of solid electrolyte interface to protect lithium anodes from corrosion. The electrochemical properties of the ionic liquids obviously depend on carbon chain length and configuration of the alkyl, including ionic conductivity, viscosity, and charge/discharge capacity etc. Among five alkyl-DMimTFSI-LiTFSI-VC electrolytes. Li/LiFePO4 battery with the electrolyte-based on amyl-DMimTESI shows best charge/discharge capacity and reversibility due to relatively high conductivity and low viscosity, its initial discharge capacity is about 152.6 mAh g(-1), which the value is near to theoretical specific capacity (170 mAh g(-1)). Although the battery with electrolyte-based isooctyl-DMimTFSI has lowest initial discharge capacity (8.1 mAh g(-1)) due to relatively poor conductivity and high viscosity, the value will be dramatically added to 129.6 mAh g(-1) when 10% propylene carbonate was introduced into the ternary electrolyte as diluent. These results clearly indicates this type of ionic liquids have fine application prospect for lithium batteries as highly safety electrolytes in the future. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.electacta.2010.03.043
• 作为试剂：
  描述：

  苯基乙炔基三甲基硅烷 在 1-n-butyronitrile-2,3-dimethylimidazolium bis(trifluoromethanesulfonimide) 、 nickel 、 氢气 作用下， 以 环己烷 为溶剂， 30.0 ℃ 、400.01 kPa 条件下， 反应 17.0h， 以81%的产率得到(Z)-1-phenyl-2-(trimethylsilyl)ethylene
  参考文献：
  名称：

  Selective partial hydrogenation of alkynes to (Z)-alkenes with ionic liquid-doped nickel nanocatalysts at near ambient conditions

  摘要：

  已开发出一种选择性加氢方法，用于在一种含有便宜的Ni-NPs的催化剂系统中，利用一种含有腈基的咪唑基离子液体（IL），在非常温和的反应条件下（30-50°C和1-4 bar H2压力）从炔烃中形成（Z）-烯烃。

  DOI：

  10.1039/c6cc00499g