N-octadecyl-4-[(4-dimethylaminophenyl)azo]pyridinium iodide | 170702-96-2

• 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-octadecyl-4-[(4-dimethylaminophenyl)azo]pyridinium iodide
• CAS: 170702-96-2
• 化学式: C₃₁H₅₁N₄*I
• 分子量: 606.677
• InChiKey: PARRVFRVAIWDRR-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  4.85
• 重原子数：
  36.0
• 可旋转键数：
  18.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.65
• 拓扑面积：
  32.66
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  bis(tetrabutylammonium) bis(2-thione-1,3-dithiol-4,5-dimercapto) zinc 、 N-octadecyl-4-[(4-dimethylaminophenyl)azo]pyridinium iodide 以 丙酮 为溶剂， 以80%的产率得到bis[N-octadecyl-4-(4-dimethylaminophenylazo)pyridinium] bis(2-thione-1,3-dithiol-4,5-dimercapto) zinc
  参考文献：
  名称：

  Langmuir–Blodgett film and second harmonic generation of a new type of amphiphilic non-linear optical bis-chromophore complex dye

  摘要：

  A bivalent zinc complex anion: bis(2-thione-1,3-dithiol-4,5-dimercapto)zinc, has been chosen to balance several non-linear optical (NLO) dye cations in the design and synthesis of a series of novel bis-chromophore complex dyes. The Langmuir film-forming properties of these new NLO complex dyes at the air/water interface, the stability and second-order non-linear optical properties of the monolayer and Langmuir-Blodgett multilayer films were investigated. Results show that both the film-forming properties and NLO coefficiencies were improved greatly when the zinc complex anion was incorporated into four types of NLO-active organic dyes.

  DOI：

  10.1039/ft9969202585
• 作为产物：
  描述：

  Pyridine-4-diazonium; nitrate 在 potassium acetate 、 sodium carbonate 作用下， 以 1,4-二氧六环 、 溶剂黄146 为溶剂， 反应 7.0h， 生成 N-octadecyl-4-[(4-dimethylaminophenyl)azo]pyridinium iodide
  参考文献：
  名称：

  Langmuir–Blodgett film and second harmonic generation of a new type of amphiphilic non-linear optical bis-chromophore complex dye

  摘要：

  A bivalent zinc complex anion: bis(2-thione-1,3-dithiol-4,5-dimercapto)zinc, has been chosen to balance several non-linear optical (NLO) dye cations in the design and synthesis of a series of novel bis-chromophore complex dyes. The Langmuir film-forming properties of these new NLO complex dyes at the air/water interface, the stability and second-order non-linear optical properties of the monolayer and Langmuir-Blodgett multilayer films were investigated. Results show that both the film-forming properties and NLO coefficiencies were improved greatly when the zinc complex anion was incorporated into four types of NLO-active organic dyes.

  DOI：

  10.1039/ft9969202585