1-octyl-2,3-dimethylpyridinium bromide | 1234348-79-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 1-octyl-2,3-dimethylpyridinium bromide
• 英文别名: 2,3-Dimethyl-1-octylpyridin-1-ium;bromide
• CAS: 1234348-79-8
• 化学式: Br*C₁₅H₂₆N
• 分子量: 300.282
• InChiKey: HGQNXOSMJCGGNO-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  0.96
• 重原子数：
  17
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  3.9
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  2,3-二甲基吡啶 、 1-溴辛烷 反应 48.0h， 生成 1-octyl-2,3-dimethylpyridinium bromide
  参考文献：
  名称：

  Synthesis, Physicochemical Properties, and Toxicity Data of New Hydrophobic Ionic Liquids Containing Dimethylpyridinium and Trimethylpyridinium Cations

  摘要：

  Hydrophobic ionic liquids containing, 1-butyl-2,3-dimethylpyridinium [B2M3MPYR], 1-butyl-3,5-dimethylpyridinium [B3M5MPYR], 1-butyl-2-methyl-5-ethylpyridinium [B2M5EPYR], 1-butyl-2,3,5-trimethylpyridinium [B2M3M5MPYR], 1-octyl-2,3-dimethylpyridinium [O2M3MPYR], 1-octyl-3,5-dimethylpyridinium [O3M5MPYR], 1-octyl-2-methyl-5-ethylpyridinium [O2M5EPYR], or 1-octyl-2,3,5-trimethylpyridinium [O2M3M5MPYR] as the cation and bis(trifluoromethanesulfonyl)imide [NTf2], trilluoromethanesullonate [TfO], dicyanamide [N(CN)(2)], thiocyanate [SCN] or iodide as the anion have been synthesized, and their physicochemial properties have been studied. Thermal properties, solubilities in water and water contents, UV vis spectra, densities, refractive indices, electrochemical windows, and toxicities on Vibrie fischeri have been measured. These ionic liquids, most of which are liquid at room temperature, exhibit high refractive indices and increased hydrophobicity. Despite high toxicity values toward V. fischeri, ionic liquids containing a dialkylpyridinium or trialkylpyrichnium cation with an octyl chain represent good alternatives to extracting solvents.

  DOI：

  10.1021/je9009283

文献信息

• FREESTANDING ION GEL AND METHOD FOR PREPARING THE SAME
  申请人：Research & Business Foundation Sungkyunkwan University

  公开号：US20210054127A1

  公开（公告）日：2021-02-25

  Disclosed is preparation of a freestanding ion gel having high stability and high ionic conductivity based on surface-activity ionic liquids. Further, disclosed is a solid electrolyte using the ion gel. A method for preparing the freestanding ion gel include mixing a surface-activity ionic liquid having an alkyl group having 8 or greater carbon atoms, a crosslinking agent, water and oil with each other to form a bicontinuous microemulsion mixture; ii) adding an initiator to the mixture; and iii) curing the mixture using ultraviolet (UV) or thermal energy to form a freestanding ion gel.
• Synthesis, Physicochemical Properties, and Toxicity Data of New Hydrophobic Ionic Liquids Containing Dimethylpyridinium and Trimethylpyridinium Cations
  作者：Nicolas Papaiconomou、Julien Estager、Youssouf Traore、Pierre Bauduin、Corine Bas、Sophie Legeai、Sylvie Viboud、Micheline Draye

  DOI：10.1021/je9009283

  日期：2010.5.13

  Hydrophobic ionic liquids containing, 1-butyl-2,3-dimethylpyridinium [B2M3MPYR], 1-butyl-3,5-dimethylpyridinium [B3M5MPYR], 1-butyl-2-methyl-5-ethylpyridinium [B2M5EPYR], 1-butyl-2,3,5-trimethylpyridinium [B2M3M5MPYR], 1-octyl-2,3-dimethylpyridinium [O2M3MPYR], 1-octyl-3,5-dimethylpyridinium [O3M5MPYR], 1-octyl-2-methyl-5-ethylpyridinium [O2M5EPYR], or 1-octyl-2,3,5-trimethylpyridinium [O2M3M5MPYR] as the cation and bis(trifluoromethanesulfonyl)imide [NTf2], trilluoromethanesullonate [TfO], dicyanamide [N(CN)(2)], thiocyanate [SCN] or iodide as the anion have been synthesized, and their physicochemial properties have been studied. Thermal properties, solubilities in water and water contents, UV vis spectra, densities, refractive indices, electrochemical windows, and toxicities on Vibrie fischeri have been measured. These ionic liquids, most of which are liquid at room temperature, exhibit high refractive indices and increased hydrophobicity. Despite high toxicity values toward V. fischeri, ionic liquids containing a dialkylpyridinium or trialkylpyrichnium cation with an octyl chain represent good alternatives to extracting solvents.