1-allyl-3-(1-decyl)imidazolium chloride | 1403350-62-8

• 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-(1-decyl)imidazolium chloride
• CAS: 1403350-62-8
• 化学式: C₁₆H₂₉N₂*Cl
• 分子量: 284.873
• InChiKey: MUWBOGBLHTYIEQ-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  1.11
• 重原子数：
  19.0
• 可旋转键数：
  11.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.69
• 拓扑面积：
  8.81
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  1-allyl-3-(1-decyl)imidazolium chloride 、 sodium dicyanamide 以 水 为溶剂， 反应 24.0h， 生成
  参考文献：
  名称：

  Hydrophobic 1-allyl-3-alkylimidazolium dicyanamide ionic liquids with low densities

  摘要：

  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。

  DOI：

  10.1039/c1jm10491h
• 作为产物：
  描述：

  癸基溴 在 sodium 作用下， 以 乙醇 为溶剂， 反应 5.0h， 生成 1-allyl-3-(1-decyl)imidazolium 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