4,6-diamino-1,2-dihydro-2-oxo-1-phenylpyridine-3,5-dicarbonitrile | 386269-44-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 4,6-diamino-1,2-dihydro-2-oxo-1-phenylpyridine-3,5-dicarbonitrile
• 英文别名: 2,4-Diamino-6-oxo-1-phenylpyridine-3,5-dicarbonitrile
• CAS: 386269-44-9
• 化学式: C₁₃H₉N₅O
• 分子量: 251.247
• InChiKey: WRAHIKYPCUEXEJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  19
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  120
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  原甲酸三乙酯 、 4,6-diamino-1,2-dihydro-2-oxo-1-phenylpyridine-3,5-dicarbonitrile 以 乙酸酐 为溶剂， 反应 3.0h， 以87%的产率得到4,6-bis(ethoxymethyleneamino)-1,2-dihydro-2-oxo-1-phenylpyridine-3,5-dicarbonitrile
  参考文献：
  名称：

  A FACILE METHOD FOR THE SYNTHESIS OF NOVEL PYRIDINONE DERIVATIVES VIA KETENEN,S-ACETALS

  摘要：

  A simple and easy method is provided for the synthesis of the novel pyridinone derivatives (3a-e), (8a-c) and (10a-c) by the reaction of ketene acetals (2a-e), (7a-c) and (9a-c) with ethyl cyanoacetate respectively. Compounds (3b-d) reacted with triethyl orthoformate to afford the pyridinone derivatives (4-6) respectively. Compound 7a reacted with ethyl acetoacetate or diethyl malonate to give thiazolopyridinone derivative 11 or 12 respectively.

  DOI：

  10.1081/scc-100106218
• 作为产物：
  描述：

  2-cyano-3-methylthio-3-phenylaminoacrylonitrile 、 氰乙酸乙酯 在 ammonium acetate 作用下， 以 溶剂黄146 为溶剂， 反应 3.0h， 以89%的产率得到4,6-diamino-1,2-dihydro-2-oxo-1-phenylpyridine-3,5-dicarbonitrile
  参考文献：
  名称：

  A FACILE METHOD FOR THE SYNTHESIS OF NOVEL PYRIDINONE DERIVATIVES VIA KETENEN,S-ACETALS

  摘要：

  A simple and easy method is provided for the synthesis of the novel pyridinone derivatives (3a-e), (8a-c) and (10a-c) by the reaction of ketene acetals (2a-e), (7a-c) and (9a-c) with ethyl cyanoacetate respectively. Compounds (3b-d) reacted with triethyl orthoformate to afford the pyridinone derivatives (4-6) respectively. Compound 7a reacted with ethyl acetoacetate or diethyl malonate to give thiazolopyridinone derivative 11 or 12 respectively.

  DOI：

  10.1081/scc-100106218