2,6-二氨基嘧啶-4-甲酰胺 | 18620-82-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 中文名称: 2,6-二氨基嘧啶-4-甲酰胺
• 英文名称: 2,4-diaminopyrimidine-6-carboxamide
• 英文别名: 2,6-Diaminopyrimidine-4-carboxamide
• CAS: 18620-82-1
• 化学式: C₅H₇N₅O
• 分子量: 153.143
• InChiKey: AUPGCSRHUPOJDP-UHFFFAOYSA-N

物化性质

• 熔点：
  284 °C (decomp)(Solv: water (7732-18-5))
• 沸点：
  551.6±60.0 °C(Predicted)
• 密度：
  1.544±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -1.3
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  121
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2,4-diaminopyrimidine-6-carbonitrile 在 双氧水 、 sodium carbonate 作用下， 反应 6.0h， 以55%的产率得到2,6-二氨基嘧啶-4-甲酰胺
  参考文献：
  名称：

  Efficient Synthesis of Pyrimidinecarbonitriles and Their Derivatives

  摘要：

  New approach to pyrimidinecarbonitriles was developed. Pyrimidine-4- and 6-carbonitriles were prepared by palladium-catalyzed cross-coupling reaction of iodopyrimidines with Zn(CN)2 in very good yields. The cyano group was converted into the corresponding acyl groups by the treatment with Grignard reagents and transformed to amido and imido function as well.

  DOI：

  10.3987/com-07-11014

文献信息

• Efficient Synthesis of Pyrimidinecarbonitriles and Their Derivatives
  作者：Petra Doláková、Milena Masojídková、Antonín Holy

  DOI：10.3987/com-07-11014

  日期：——

  New approach to pyrimidinecarbonitriles was developed. Pyrimidine-4- and 6-carbonitriles were prepared by palladium-catalyzed cross-coupling reaction of iodopyrimidines with Zn(CN)2 in very good yields. The cyano group was converted into the corresponding acyl groups by the treatment with Grignard reagents and transformed to amido and imido function as well.