(E)-N-hexadecyl-4-[2-(4-diethylaminophenyl)ethenyl]pyridinuim bromide | 166267-25-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (E)-N-hexadecyl-4-[2-(4-diethylaminophenyl)ethenyl]pyridinuim bromide
• CAS: 166267-25-0
• 化学式: Br*C₃₃H₅₃N₂
• 分子量: 557.701
• InChiKey: OUISWZJXJDOUKF-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  6.48
• 重原子数：
  36.0
• 可旋转键数：
  20.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  7.12
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  bis(tetrabutylammonium) bis(2-thione-1,3-dithiol-4,5-dimercapto) zinc 、 (E)-N-hexadecyl-4-[2-(4-diethylaminophenyl)ethenyl]pyridinuim bromide 以 乙醇 、 丙酮 为溶剂， 生成 bis(E)-N-hexadecyl-4-[2-(4-diethylaminophenyl)ethenyl]pyridinuim bis(2-thione-1,3-dithiol-4,5-dimerkapto) 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：

  4-甲基吡啶 以 乙醇 为溶剂， 反应 48.0h， 生成 (E)-N-hexadecyl-4-[2-(4-diethylaminophenyl)ethenyl]pyridinuim bromide
  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