1-[(4-chloro-phenylcarbamoyl)-methyl]-2-oxo-1,2-dihydro-pyrimidine-5-carboxylic acid amide | 1233198-76-9

• 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-[(4-chloro-phenylcarbamoyl)-methyl]-2-oxo-1,2-dihydro-pyrimidine-5-carboxylic acid amide
• 英文别名: 1-[2-(4-Chloroanilino)-2-oxoethyl]-2-oxopyrimidine-5-carboxamide
• CAS: 1233198-76-9
• 化学式: C₁₃H₁₁ClN₄O₃
• 分子量: 306.708
• InChiKey: DVBBUDGLGMBWBS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  105
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2-hydroxypyrimidine-5-carboxamide 、 2-溴-n-(4-氯苯基)乙酰胺 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以87%的产率得到1-[(4-chloro-phenylcarbamoyl)-methyl]-2-oxo-1,2-dihydro-pyrimidine-5-carboxylic acid amide
  参考文献：
  名称：

  Novel and Efficient Synthesis of Pyrimidine Derivatives

  摘要：

  A new series of 1-alkyl-2-oxo-1,2-dihydro-pyrimidine-5-carboxalic acid amides is described. The reaction of N-((E)-3-(dimethylamino)-2-formylacryloyl) formamidine, an intermediate obtained by Vilsmeier-Haack formylation of acetonitrile with various mono-substituted ureas, provides such compounds in good yields.

  DOI：

  10.1080/00397910903108521

文献信息

• Novel and Efficient Synthesis of Pyrimidine Derivatives
  作者：Maruti G. Ghagare、Dilip R. Birari、Deepak P. Shelar、Raghunath B. Toche、Madhukar N. Jachak

  DOI：10.1080/00397910903108521

  日期：2010.5.11

  A new series of 1-alkyl-2-oxo-1,2-dihydro-pyrimidine-5-carboxalic acid amides is described. The reaction of N-((E)-3-(dimethylamino)-2-formylacryloyl) formamidine, an intermediate obtained by Vilsmeier-Haack formylation of acetonitrile with various mono-substituted ureas, provides such compounds in good yields.