N,N,N,N-triethylbutylammonium tetrafluoroborate | 99021-92-8

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: N,N,N,N-triethylbutylammonium tetrafluoroborate
• 英文别名: Butyltriethylammonium tetrafluoroborate；butyl(triethyl)azanium;tetrafluoroborate
• CAS: 99021-92-8
• 化学式: BF₄*C₁₀H₂₄N
• 分子量: 245.112
• InChiKey: RBBVXKMSDUTPAK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.96
• 重原子数：
  16
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  三乙胺 以 乙醇 为溶剂， 反应 12.0h， 生成 N,N,N,N-triethylbutylammonium tetrafluoroborate
  参考文献：
  名称：

  Physicochemical Characterization of MF_m^–-Based Ammonium Ionic Liquids

  摘要：

  A series of ammonium-based ionic liquids (ILs), which share a homologous series of cations (CH3CH2)(3)N+(CnH2n+1) with n = 2, 4, 6, 8 and the anions with either BF4-, PF6-, or SbF6-, was synthesized. Their structures were confirmed by H-1 and C-13 NMR, ESI-MS, and elemental analysis. Meanwhile, the content of impurity (e.g., water and bromide ions) was also determined using Karl Fischer titrator and ion chromatography. The thermal properties of the ILs were determined by TGA and DSC. Five of the investigated ILs have been shown to have a low melting point (< 100 degrees C): N,N,N,N-tetraethylammonium tetrafluoroborate, [N-2222]BF4, N,N,N,N-tetraethylammonium hexafluorophosphate, [N-2222]PF6, N,N,N-triethylhexylammonium tetrafluoroborate, [N-2226]BF4, N,N,N-triethyloctylammonium hexafluorophosphate, [N-2228]PF6 and N,N,N-triethyloctylammonium hexafluoroantimonate, [N-2228]SbF6. Densities, refractive indices, and miscibility of these 12 ILs were well studied systematically. Moreover, from the analysis of the structure-property relationship, the role of the alkyl chain length of the cation on these physical properties of the ILs has been assessed, and the influence of the nature of the anions on these experimental data of the ILs has been discussed. The studies may provide valuable contributions for the design and study of ILs.

  DOI：

  10.1021/je300993n

文献信息

• Physicochemical Characterization of MF_<i>m</i>^–-Based Ammonium Ionic Liquids
  作者：Haifang Li、Guoying Zhao、Fangfang Liu、Suojiang Zhang

  DOI：10.1021/je300993n

  日期：2013.6.13

  A series of ammonium-based ionic liquids (ILs), which share a homologous series of cations (CH3CH2)(3)N+(CnH2n+1) with n = 2, 4, 6, 8 and the anions with either BF4-, PF6-, or SbF6-, was synthesized. Their structures were confirmed by H-1 and C-13 NMR, ESI-MS, and elemental analysis. Meanwhile, the content of impurity (e.g., water and bromide ions) was also determined using Karl Fischer titrator and ion chromatography. The thermal properties of the ILs were determined by TGA and DSC. Five of the investigated ILs have been shown to have a low melting point (< 100 degrees C): N,N,N,N-tetraethylammonium tetrafluoroborate, [N-2222]BF4, N,N,N,N-tetraethylammonium hexafluorophosphate, [N-2222]PF6, N,N,N-triethylhexylammonium tetrafluoroborate, [N-2226]BF4, N,N,N-triethyloctylammonium hexafluorophosphate, [N-2228]PF6 and N,N,N-triethyloctylammonium hexafluoroantimonate, [N-2228]SbF6. Densities, refractive indices, and miscibility of these 12 ILs were well studied systematically. Moreover, from the analysis of the structure-property relationship, the role of the alkyl chain length of the cation on these physical properties of the ILs has been assessed, and the influence of the nature of the anions on these experimental data of the ILs has been discussed. The studies may provide valuable contributions for the design and study of ILs.