| 1266707-41-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• CAS: 1266707-41-8
• 化学式: Br*C₂₄H₃₉N₂
• 分子量: 435.491
• InChiKey: QHVYFRVOITZLKU-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  3.61
• 重原子数：
  27.0
• 可旋转键数：
  12.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  8.81
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为产物：
  描述：

  2-(2,4,6-Trimethylphenyl)iminoacetaldehyde 在 磷酸 、 氯化铵 作用下， 以 甲醇 、 水 、 甲苯 为溶剂， 反应 57.0h， 生成
  参考文献：
  名称：

  Aggregation Behavior of Long-Chain N-Aryl Imidazolium Bromide in Aqueous Solution

  摘要：

  The aggregation behavior of three long-chain N-aryl imidazolium ionic liquids (ILs), 1-(2,4,6-trimethylphenyl)-3-alkylimidazolium bromide [C(n)pim]Br (n = 10, 12, and 14), in aqueous solutions was systematically explored by surface tension, electrical conductivity, and H-1 NMR. A lower critical micelle concentration (cmc) for the N-aryl imidazolium ILs is observed compared with that for 1,3-dialkylimidazolium ILs [C(n)mim]Br, indicating that the incorporation of the 2,4,6-trimethylphenyl group into a headgroup favors micellization. The enhanced pi-pi interactions among the adjacent 2,4,6-trimethylphenyl groups weaken the steric hindrance of headgroups and thus lead to a dense arrangement of [C(n)pim]Br molecules at the air-water interface. An analysis of the H-1 NMR spectra revealed that the introduced 2,4,6trimethylphenyl group may slightly bend into the hydrophobic regions upon micellization. The micelle formation process for [C(n)pim]Br = 10, 12, and 14) was found to be enthalpy-driven in the investigated temperature range, which is attributed to the strong electrostatic self-repulsion of the headgroups and the counterions as well as the pi-pi interactions among headgroups. Strong, stable fluorescence properties are presented by the new N-aryl imidazolium ILs, indicating their potential application in the field of photochemistry.

  DOI：

  10.1021/la104719v