1-allyl-3-octylimidazolium chloride | 1365700-35-1

• 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-allyl-3-octylimidazolium chloride
• 英文别名: 1-Allyl-3-octyl-1H-imidazol-3-ium chloride；1-octyl-3-prop-2-enylimidazol-1-ium;chloride
• CAS: 1365700-35-1
• 化学式: C₁₄H₂₅N₂*Cl
• 分子量: 256.819
• InChiKey: PXIQREGLQLGMSH-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  0.33
• 重原子数：
  17
• 可旋转键数：
  9
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  8.8
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  1-allyl-3-octylimidazolium chloride 、 sodium cyanoborohydride 以 N,N-二甲基甲酰胺 为溶剂， 反应 4.0h， 以83%的产率得到1-allyl-3-octylimidazolium cyanoborohydride
  参考文献：
  名称：

  疏水性增强的咪唑鎓超快离子液体超快点火†

  摘要：

  探索超快点火和水解稳定的离子液体（ILs）在高目标火箭燃料中具有广泛的应用范围。首次检查了由咪唑鎓阳离子的烷基取代基与富含能量的氰基硼氢化物[BH 3 CN] -和双氰胺[DCA] -阴离子的智能变化引起的ILs疏水性。还研究了IL的理化性质和性能。因此，在标准环境条件下彻底研究了所有IL的水分稳定性方面的水解稳定性。分析表明IL 14，1-烯丙基-3-辛基咪唑鎓氰基硼氢化物是最疏水的和水解稳定的。进行了评估阳离子烃链的作用和ILs的阴离子性质对高分子量燃料性能的研究。所有IL在室温下均为液体，并显示出正的形成热。IL 10，1,3-二烯丙基咪唑鎓氰基硼表现出1.9毫秒WFNA和IL最短点火延迟11，1-烯丙基-3-乙基咪唑鎓的氰基硼氢化呈现的16.62毫帕·秒的粘度最低。因此，这些ILs可能被建议替代高毒性燃料替代急性毒性和致癌肼及其甲基化衍生物。

  DOI：

  10.1039/c6nj03233h
• 作为产物：
  描述：

  1-溴辛烷 在 sodium 作用下， 以 乙醇 为溶剂， 反应 5.0h， 生成 1-allyl-3-octylimidazolium chloride
  参考文献：
  名称：

  β-Carotene: A green, inexpensive, and convenient solvatochromic probe for the determination of solvent polarizability

  摘要：

  Solvent polarizability has been previously determined by using the solvatochromic probe 3,20-di-tert-butyl-2,2,21,21-tetramethyl-3,5,7,9,11,13,15,17,19-docosanonaene whose synthesis involves 15 steps. We show here that the natural dye beta-carotene, 1,1'-(3,7,12,16-tetramethyl-1,3,5,7,9,11,13,15.17-octadecanonaene-1,18-diyl)bis[2,6,6-trimethylcyclohexene], can be conveniently employed for the accurate determination of the same solvent property. This conclusion is based on both theoretical calculations and experimental data. The former includes free energies of solvation, and the wavenumber of the longest wavelength (i.e., the solvatochromic) transition. Both quantities for beta-carotene correlate linearly with the corresponding values of the docosanonaene, with slopes and correlation coefficients of practically unity. The plot of experimentally calculated solvent polarizability of beta-carotene versus that of the docosanonaene was found to be linear for 68 solvents. Previously unknown solvent polarizability values are reported for eight ROCH2CH2OH (R = C-1 to C-10) and four 1-allyl-3-R-imidazolium chloride ionic liquids (R = C-6 to C-10). The dependence of solvent polarizability on the number of carbon atoms in the hydrocarbon chains of several classes of solvents is calculated, it shows the importance of van der Waals interactions in ionic liquids. (c) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.dyepig.2012.07.017

文献信息

• Hydrophobic 1-allyl-3-alkylimidazolium dicyanamide ionic liquids with low densities
  作者：Qinghua Zhang、Xiangyuan Ma、Shimin Liu、Benqun Yang、Liujin Lu、Yude He、Youquan Deng

  DOI：10.1039/c1jm10491h

  日期：——

  Nine 1-allyl-3-alkylimidazolium ([ACnIm]) or 1-vinyl-3-alkylimidazolium ([VCnIm]) dicyanamides (DCA) were prepared and characterized, and their physicochemical properties were studied in detail. Except for [AVIm]DCA and [AC4Im]DCA, the other dicyanamides with hexyl or longer alkyl chains on the cation exhibited the characteristic of hydrophobicity. Among them, [AC8Im]DCA and [AC10Im]DCA were found to possess similar densities to water, i.e. 1.007 g cm−3 and 0.988 g cm−3 at 25 °C, respectively. Interestingly, a reversible phase reversion of a [AC8Im]DCA/H2O mixture was observed as the temperature varied. These environmentally-friendly liquid materials have potential applications as precursors for syntheses of conducting polymeric materials.

  制备并表征了九种1-烯丙基-3-烷基咪唑双氰胺([ACnIm]DCA)或1-乙烯基-3-烷基咪唑双氰胺([VCnIm]DCA)，并详细研究了它们的物理化学性质。除了[AVIm]DCA和[AC4Im]DCA外，阳离子带有己基或更长烷基的其他双氰胺表现出疏水性特征。其中，[AC8Im]DCA和[AC10Im]DCA的密度与水相似，分别为1.007 g cm−3和0.988 g cm−3（25°C）。有趣的是，随着温度的变化，观察到了[AC8Im]DCA/H2O混合物的可逆相变。这些环境友好的液体材料有望作为导电高分子材料合成的前驱体。
• Computationally designed ionic liquid based molecularly imprinted@ graphene oxide composite: Characterization and validation
  作者：Ranjita S. Das、Atul V. Wankhade、Anupama Kumar

  DOI：10.1016/j.molliq.2021.116925

  日期：2021.11