1,3-dimethyl-5-(3-morpholino-3-oxo-1-phenyl-2-(pyridin-1-ium-1-yl)propyl)-2,4,6-trioxohexahydropyrimidin-5-ide | 1207997-24-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 1,3-dimethyl-5-(3-morpholino-3-oxo-1-phenyl-2-(pyridin-1-ium-1-yl)propyl)-2,4,6-trioxohexahydropyrimidin-5-ide
• CAS: 1207997-24-7
• 化学式: C₂₄H₂₆N₄O₅
• 分子量: 450.494
• InChiKey: ATYOYYPJIQOVAG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.32
• 重原子数：
  33.0
• 可旋转键数：
  5.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  94.49
• 氢给体数：
  0.0
• 氢受体数：
  7.0

反应信息

• 作为产物：
  描述：

  吡啶 、 2-溴-1-(4-吗啉)乙酮 、 1,3-二甲基巴比妥酸 、 苯甲醛 在 三乙胺 作用下， 以 乙腈 为溶剂， 反应 2.0h， 生成 1,3-dimethyl-5-(3-morpholino-3-oxo-1-phenyl-2-(pyridin-1-ium-1-yl)propyl)-2,4,6-trioxohexahydropyrimidin-5-ide
  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