3-Methyl-1-[(4-nitrophenyl)methyl]pyridin-1-ium;bromide | 1039398-54-3

• 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: 3-Methyl-1-[(4-nitrophenyl)methyl]pyridin-1-ium;bromide
• CAS: 1039398-54-3
• 化学式: Br*C₁₃H₁₃N₂O₂
• 分子量: 309.162
• InChiKey: PYADFCSFMIWXFJ-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -0.76
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  49.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  3-甲基吡啶 、 1,3-二甲基巴比妥酸 、 苯甲醛 、 对硝基溴化苄 以 乙腈 为溶剂， 反应 2.0h， 生成 3-Methyl-1-[(4-nitrophenyl)methyl]pyridin-1-ium;bromide 、 5-benzylidene-1,3-dimethyl-pyrimidine-2,4,6-trione
  参考文献：
  名称：

  Synthesis of Zwitterionic Salts of Pyridinium-Meldrum Acid and Barbiturate through Unique Four-component Reactions

  摘要：

  An efficient synthetic procedure for the preparation of the unusual charge-separated pyridinium-Meldrum acid and N,N-dimethylbarbiturate acid zwitterionic salts was developed though a unique one-pot four-component reaction involving pyridine, aromatic aldehyde, Meldrum acid or N,N-dimethylbarbituric acid, and p-nitrobenzyl bromide in acetonitrile. By varying combinations of four components involving nitrogen-containing heterocycles, we conveniently established reactive alpha-halomethylene compounds, aldehydes and beta-dicarbonyl compounds a library of zwitterionic salts.

  DOI：

  10.1021/cc900161z

文献信息

• Synthesis of Zwitterionic Salts of Pyridinium-Meldrum Acid and Barbiturate through Unique Four-component Reactions
  作者：Qi-Fang Wang、Li Hui、Hong Hou、Chao-Guo Yan

  DOI：10.1021/cc900161z

  日期：2010.3.8

  An efficient synthetic procedure for the preparation of the unusual charge-separated pyridinium-Meldrum acid and N,N-dimethylbarbiturate acid zwitterionic salts was developed though a unique one-pot four-component reaction involving pyridine, aromatic aldehyde, Meldrum acid or N,N-dimethylbarbituric acid, and p-nitrobenzyl bromide in acetonitrile. By varying combinations of four components involving nitrogen-containing heterocycles, we conveniently established reactive alpha-halomethylene compounds, aldehydes and beta-dicarbonyl compounds a library of zwitterionic salts.