[4-(4-CH3C6H4)-6-(2-C5H4N)-C5H2N-2]2 | 263249-07-6

• 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: [4-(4-CH3C6H4)-6-(2-C5H4N)-C5H2N-2]2
• 英文别名: 4',4''-di-p-tolyl-[2,2';6',2'';6'',2''']quaterpyridine；4',4''-Bis(4-methylphenyl)-2,2':6',2'':6'',2'''-quaterpyridine；4-(4-methylphenyl)-2-[4-(4-methylphenyl)-6-pyridin-2-ylpyridin-2-yl]-6-pyridin-2-ylpyridine
• CAS: 263249-07-6
• 化学式: C₃₄H₂₆N₄
• 分子量: 490.607
• InChiKey: BWYFONCCOPRZCW-UHFFFAOYSA-N

物化性质

• 沸点：
  639.8±50.0 °C(Predicted)
• 密度：
  1.164±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.7
• 重原子数：
  38
• 可旋转键数：
  5
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  51.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  [4-(4-CH3C6H4)-6-(2-C5H4N)-C5H2N-2]2 在 potassium dichromate 、 硫酸 、 水 、 硝酸 作用下， 反应 36.0h， 以65%的产率得到4-[2-[4-(4-Carboxyphenyl)-6-pyridin-2-ylpyridin-2-yl]-6-pyridin-2-ylpyridin-4-yl]benzoic acid
  参考文献：
  名称：

  A simple and environmentally benign synthesis of polypyridine-polycarboxylic acids

  摘要：

  An oxidation method using dilute nitric acid solutions under solvothermal conditions has been developed to synthesise a series of polypyridine-polycarboxylic acids. It has been successfully applied to a range of methyl substituted polypyridines including symmetrical and asymmetrical 2,2'-bipyridines; 2,2':6',2 ''-terpyridines and; 2,2':6',2 '':6 '',2'''-tetra-pyridines and yields crystalline polypyridine-polycarboxylic acids in a single step. Simple product recovery through filtration yields a recyclable filtrate. More forcing conditions led to demethylation of the polypyridine ligand most probably via decarboxylation. This simple approach avoids potentially harmful metal-based oxidants and negates any issues associated with the disposal of their resultant (hazardous) waste. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2010.12.074

文献信息

• Synthesis and coordination chemistry of 4′,4″-disubstituted 2,2′:6′,2″:6″,2‴-quaterpyridines and crystal and molecular structures of nickel(II) and cobalt(II) complexes
  作者：Edwin C Constable、Michael J Hannon、Peter Harverson、Markus Neuburger、Diane R Smith、Verena F Wanner、Louise A Whall、Margareta Zehnder

  DOI：10.1016/s0277-5387(99)00318-6

  日期：2000.1

  4″-disubstituted 2,2′:6′,2″:6″,2‴-quaterpyridines has been prepared and their coordination behaviour with metal ions having a preference for tetrahedral and octahedral geometries has been studied. The new ligands reacted with copper(I) and silver(I) salts to form dinuclear double-helical complexes; reaction with nickel(II) or cobalt(II) salts gave mononuclear species. The crystal structures of three mononuclear

  制备了一系列对称的4'，4''-二取代2,2'：6'，2''：6”，2′-四吡啶并研究了它们与偏爱四面体和八面体几何形状的金属离子的配位行为。新的配体与铜（I）和银（I）盐反应形成双核双螺旋络合物。与镍（II）或钴（II）盐反应得到单核物质。报道了三种单核配合物的晶体结构，并证明该配体以四齿模式结合到八面体金属中心的赤道平面。