1-ethyl-3-methylimidazolium fluoride hydrofluoride

• 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-ethyl-3-methylimidazolium fluoride hydrofluoride
• 英文别名: 1-ethyl-3-methylimidazolium bifluoride；1-ethyl-3-methylimidazol-3-ium;fluoride;hydrofluoride
• 化学式: C₆H₁₁N₂*FH*F
• 分子量: 150.171
• InChiKey: AGXVRPZUSKOSTC-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -2.51
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  8.8
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-ethyl-3-methylimidazolium fluoride hydrofluoride 在 氟化钽(V) 作用下， 生成 1-ethyl-3-methylimidazolium hexafluorotantalate(V)
  参考文献：
  名称：

  Room temperature molten fluorometallates: 1-ethyl-3-methylimidazolium hexafluoroniobate(V) and hexafluorotantalate(V)

  摘要：

  The first room temperature molten salts containing hexafluorometallate anions of transition metals, 1-ethyl-3-methylimidazolium (EMIm) hexafluoroniobate, EMImNb(V)F-6, and hexafluorotantalate, EMImTa(V)F-6, have been synthesized by the reactions of EMImF(.)2.3HF with NbF5 and TaF5, respectively. They exhibit similar physical properties. Viscosities and conductivities are 49 cP and 8.5 mS cm(-1) for ENImNbF(6) and 51 cP and 7.1 mS cm(-1) for EMImTaF(6), respectively at 298 K. (C) 2002 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0022-1139(02)00037-4
• 作为产物：
  描述：

  氯化 1-乙基-3-甲基咪唑 在 氢氟酸 作用下， 以 neat (no solvent) 为溶剂， 生成 1-ethyl-3-methylimidazolium fluoride hydrofluoride
  参考文献：
  名称：

  Fluorination of α-bromomethyl aryl ketones with fluorohydrogenate-based ionic liquids

  摘要：

  Fluorination of alpha-bromomethyl aryl ketones using fluorohydrogenate-based ionic liquids as fluorinating reagent is described. Reaction of various alpha-bromomethyl aryl ketones (1a-g) with fluorohydrogenate-based ionic liquids such as EMIMF.(HF)(2.3), PYR13F.(HF)(2.3) or PYR14F.(HF)(2.3) as a fluoride ion source in anhydrous THE led to the formation of the corresponding alpha-fluoromethyl aryl ketones (2a-g) in very good yield. Compared to alternative fluorinating agents for this reaction, fluorohydrogenate-based ionic liquids are safer to handle and have the potential to be less expensive and more selective. (C) 2015 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jfluchem.2015.10.014
• 作为试剂：
  描述：

  2-溴-3'-硝基苯乙酮 在 1-ethyl-3-methylimidazolium fluoride hydrofluoride 作用下， 以 四氢呋喃 为溶剂， 反应 20.0h， 以85%的产率得到2-氟-3’-硝基苯乙酮
  参考文献：
  名称：

  Fluorination of α-bromomethyl aryl ketones with fluorohydrogenate-based ionic liquids

  摘要：

  Fluorination of alpha-bromomethyl aryl ketones using fluorohydrogenate-based ionic liquids as fluorinating reagent is described. Reaction of various alpha-bromomethyl aryl ketones (1a-g) with fluorohydrogenate-based ionic liquids such as EMIMF.(HF)(2.3), PYR13F.(HF)(2.3) or PYR14F.(HF)(2.3) as a fluoride ion source in anhydrous THE led to the formation of the corresponding alpha-fluoromethyl aryl ketones (2a-g) in very good yield. Compared to alternative fluorinating agents for this reaction, fluorohydrogenate-based ionic liquids are safer to handle and have the potential to be less expensive and more selective. (C) 2015 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jfluchem.2015.10.014

文献信息

• Syntheses and Physicochemical Properties of New Ionic Liquids Based on the Hexafluorouranate Anion
  作者：Takatsugu Kanatani、Kazuhiko Matsumoto、Rika Hagiwara

  DOI：10.1246/cl.2009.714

  日期：2009.7.5

  The first syntheses of a series of ionic liquids based on the hexafluorouranate(V) anion are described along with their physicochemical and electrochemical properties. The green room-temperature io...

  描述了基于六氟尿酸盐 (V) 阴离子的一系列离子液体的首次合成及其物理化学和电化学性质。绿色常温...
• Syntheses and Physicochemical Properties of Low‐Melting Salts Based on VOF ₄ ^– and MoOF ₅ ^– , and the Molecular Geometries of the Dimeric (VOF ₄ ^– ) ₂ and Mo ₂ O ₄ F ₆ ^2– Anions
  作者：Takatsugu Kanatani、Kazuhiko Matsumoto、Rika Hagiwara

  DOI：10.1002/ejic.200901099

  日期：2010.3

  single-crystal X-ray diffraction, the latter being obtained by the hydrolysis of MoOF 5 - . The two VOF 4 - anions in EMImVOF 4 interact with each other through two highly asymmetric V-F···V bridges with V-F and V···F distances of 1.8633(7) and 2.3786(7) A, respectively. A dinuclear anion in (BPy) 2 Mo 2 O 4 F 6 possesses two symmetric Mo-F-Mo bonds with Mo-F lengths of 2.1691(12) and 2.1829(11) A.

  1-乙基-3-甲基咪唑鎓 (EMIm + ) 和 N-丁基吡啶鎓 (BPy + ) 氧代四氟钒酸盐 (VOF 4 - ) 和氧代五氟钼酸盐 (MoOF 5 - ) 阴离子具有低熔点，已通过相应的氟氢酸盐反应合成离子液体和金属氧化物氟化物。差示扫描量热法显示，EMImVOF 4 、BPyVOF 4 和BPyMoOF 5 的熔点分别为348、346 和346 K，而室温离子液体EMImMoOF 5 仅在190 K 时呈现玻璃化转变。密度、粘度和 EMImMoOF 5 的离子电导率在 298 K 时分别为 1.76 g cm -1 、86 cP 和 5.1 mS cm -1 。EMImMoOF 5 的阴极和阳极极限分别为 -0.3 和 +1.4 V（相对于 Ag + /Ag）。VOF 4 - 和Mo 2 O 4 F 6 2- 阴离子的分子几何结构已通过单晶X射线衍射测定，后者通过MoOF 5 -
• Ionization State and Ion Migration Mechanism of Room Temperature Molten Dialkylimidazolium Fluorohydrogenates
  作者：Yuria Saito、Kenichi Hirai、Kazuhiko Matsumoto、Rika Hagiwara、Yoshihiro Minamizaki

  DOI：10.1021/jp0459110

  日期：2005.2.1

  The ionization state of room temperature molten salts, alkylimidazolium fluorohydrogenates (RMIm-(HF)(2.3)F: R = alkyl group, M =methyl group), was evaluated from the observed diffusion coefficient and viscosity, using the Stokes-Einstein relation. Assuming that the dissociation degree of the salt is acceptable for representation of the ionic state of the molten salts, the larger the cation size with elongation of the alkyl chain was, the higher the dissociation degree of the salt. Further, we proposed that an idea of the "degree of ordering of cations and anions" was more suitable to represent the ionization state without solvent species. On the basis of this idea, the smaller the cation size of RMIm(HF)(2.3)F salt was, the higher the ordering of the ion, indicating formation of domain particles of aggregated ions as a unit of mobile species such as A(AX)(m)(+) and X(AX)(n)(-) for A(+)X(-) salt. It was found that highly ordered particles, with large numbers for m and n, showed a high diffusion coefficient.
• CN114478390
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