N'',N'''-dimethyl-2,2':4,4'':4',4'''-quaterpyridinium iodide | 125330-09-8

• 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'',N'''-dimethyl-2,2':4,4'':4',4'''-quaterpyridinium iodide
• CAS: 125330-09-8
• 化学式: C₂₂H₂₀N₄*2I
• 分子量: 594.237
• InChiKey: ALTWSSRZSYMWSS-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  0.13
• 重原子数：
  27.0
• 可旋转键数：
  3.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  33.54
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  N'',N'''-dimethyl-2,2':4,4'':4',4'''-quaterpyridinium iodide 在 ammonium hexafluorophosphate 、 四丁基氯化铵 作用下， 以 水 、 丙酮 为溶剂， 生成 N'',N'''-dimethyl-4,4':2',2'':4'',4'''-quaterpyridinium chloride
  参考文献：
  名称：

  Syntheses and properties of complexes with bis(2,2′-bipyridyl)ruthenium(II) moieties coordinated to 4,4′:2′,2′′:4′′,4′′′-quaterpyridinium ligands

  摘要：

  Eleven new complexes of the form cis-[Ru-II(bpy)(2)(L-A)](4+) (bpy = 2,2'-bipyridyl; L-A = a pyridinium-substituted bpy derivative) have been prepared and isolated as their PF6- salts. Characterisation involved various techniques including H-1 NMR spectroscopy and MALDI mass spectrometry. The UV-Vis spectra show intense intraligand pi -> pi* absorptions and metal-to-ligand charge-transfer (MLCT) bands with two distinct maxima in the visible region. Small shifts in the MLCT bands correlate with the electron-withdrawing strength of the ligand L-A. Cyclic voltammograms show quasi-reversible or reversible Ru-III/II oxidation waves, and two or more ligand-based reductions with varying degrees of reversibility. The variations in the redox potentials correlate with changes in the structure of L-A, and also with the MLCT energies. Differential pulse voltammetry allows the first reduction process for two of the complex salts to be resolved into two peaks. Single-crystal X-ray structures have been solved for three of the new complex salts and also for a pro-ligand salt. Two carboxylate-functionalised compounds have been tested as photosensitizers on TiO2-coated electrodes, but show only negligible efficiencies, in accord with expectations. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2011.04.018
• 作为产物：
  描述：

  4,4'-联吡啶 在 palladium on activated charcoal 作用下， 以 丙酮 为溶剂， 反应 76.5h， 生成 N'',N'''-dimethyl-2,2':4,4'':4',4'''-quaterpyridinium iodide
  参考文献：
  名称：

  2,2':4,4'':4',4'''-quaterpyridyl: a building block for the preparation of novel redox reagents. 1. Preparation and quaternization

  摘要：

  DOI：

  10.1021/jo00294a007