1,1'-(2,2',5,5'-tetrahydroxy-1,1'-biphenyl-4,4'-diyl)bis(4-methylpyridinium) hydrogenphosphate | 1350706-24-9

• 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: 1,1'-(2,2',5,5'-tetrahydroxy-1,1'-biphenyl-4,4'-diyl)bis(4-methylpyridinium) hydrogenphosphate
• 英文别名: 2-[2,5-dihydroxy-4-(4-methylpyridin-1-ium-1-yl)phenyl]-5-(4-methylpyridin-1-ium-1-yl)benzene-1,4-diol;hydrogen phosphate
• CAS: 1350706-24-9
• 化学式: C₂₄H₂₂N₂O₄*HO₄P
• 分子量: 498.429
• InChiKey: KULFPMNYBUNBJN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.15
• 重原子数：
  35
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  172
• 氢给体数：
  5
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  4-甲基吡啶 、 对苯二酚 以60.2%的产率得到1,1'-(2,2',5,5'-tetrahydroxy-1,1'-biphenyl-4,4'-diyl)bis(4-methylpyridinium) hydrogenphosphate
  参考文献：
  名称：

  Electrochemical pyridination of hydroquinone in aqueous solution

  摘要：

  Electrochemical oxidation of hydroquinone was studied in the presence of pyridine and 4-methylpyridine as nucleophiles in aqueous solution. The results indicate the participation of electrochemically generated p-benzoquinone in Michael addition reaction with pyridine and 4-methylpyridine, converting it to pyridinated compounds.

  DOI：

  10.1007/s00706-011-0539-x