N-hexyl-2-methylpyridinium iodide | 14402-24-5

• 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: N-hexyl-2-methylpyridinium iodide
• 英文别名: 1-Hexyl-2-methylpyridin-1-ium iodide；1-hexyl-2-methylpyridin-1-ium;iodide
• CAS: 14402-24-5
• 化学式: C₁₂H₂₀N*I
• 分子量: 305.202
• InChiKey: DQMXJUMJINJCDL-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -0.13
• 重原子数：
  14
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  3.9
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  10-甲基-10H-吩噻嗪-3-甲醛 、 N-hexyl-2-methylpyridinium iodide 在 aluminum oxide 作用下， 以 neat (no solvent) 为溶剂， 反应 1.0h， 以30%的产率得到(E)-1-hexyl-2-[2-(10-methyl-10H-phenothiazine-3-yl)vinyl]pyridinium iodide
  参考文献：
  名称：

  Microwave assisted synthesis, photophysical and redox properties of (phenothiazinyl)vinyl-pyridinium dyes

  摘要：

  New cationic cyanine dyes, containing electron donor 10-alkyl-phenothiazine and electron acceptor pyridinium units connected through a vinylene bridge were conveniently synthesized by microwaves assisted condensation of phenothiazine carbaldehyde with methylpyridinium salts in dry media. Their photophysical properties revealing strong absorption bands in 440-470 nm region (epsilon approximate to 10(4)-10(5)) and large Stokes shifts of fluorescence emission (610-750 nm) in solid state were supported by computational data using TDDFT level of theory. The redox behavior of PVP was studied by means of electrochemical and biocatalytical oxidation processes. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.dyepig.2013.10.044