N-(6-cyano-4-oxo-3H-pyrido[2,3-d]pyrimidin-2-yl)-2,2-dimethylpropanamide | 1118437-88-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶并嘧啶类
• 英文名称: N-(6-cyano-4-oxo-3H-pyrido[2,3-d]pyrimidin-2-yl)-2,2-dimethylpropanamide
• CAS: 1118437-88-9
• 化学式: C₁₃H₁₃N₅O₂
• 分子量: 271.279
• InChiKey: ZDRYFBRJQIDVEY-UHFFFAOYSA-N

物化性质

• 熔点：
  135-136 °C
• 密度：
  1.37±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  107
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  triselenium dicyanide 、 2-pivaloyl-6-bromo-5-deazapterin 以 二甲基亚砜 为溶剂， 反应 0.12h， 以67%的产率得到N-(6-cyano-4-oxo-3H-pyrido[2,3-d]pyrimidin-2-yl)-2,2-dimethylpropanamide
  参考文献：
  名称：

  Triselenium Dicyanide (TSD) as a New Cyanation Reagent: Synthesis of Cyano Pterins and Quinoxalines Along with Library of CyanoN-Heterocyclic Compounds

  摘要：

  Triselenium dicynide (TSD) has been reported for the first time to be a novel cyanation reagent for the microwave-assisted one-pot synthesis of a series of various types of cyano N-heterocycles such as pterin, deazapterin, quinoxaline, naphthyridine, and pyridine in good yields.

  DOI：

  10.1080/00397910802374141

文献信息

• Triselenium Dicyanide (TSD) as a New Cyanation Reagent: Synthesis of Cyano Pterins and Quinoxalines Along with Library of Cyano<i>N</i>-Heterocyclic Compounds
  作者：Shyamaprosad Goswami、Annada C. Maity、Nirmal K. Das、Debabrata Sen、Sibaprasad Maity

  DOI：10.1080/00397910802374141

  日期：2009.1.13

  Triselenium dicynide (TSD) has been reported for the first time to be a novel cyanation reagent for the microwave-assisted one-pot synthesis of a series of various types of cyano N-heterocycles such as pterin, deazapterin, quinoxaline, naphthyridine, and pyridine in good yields.