N-(4,6-dicyanopyrimidin-2-yl)benzamide

• 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: N-(4,6-dicyanopyrimidin-2-yl)benzamide
• 化学式: C₁₃H₇N₅O
• 分子量: 249.231
• InChiKey: AFWRYRGZYBZIDX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  103
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  苯甲酰腈 在 三乙烯二胺 、 三乙胺 作用下， 以 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 反应 72.0h， 生成 N-(4,6-dicyanopyrimidin-2-yl)benzamide
  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.