(Z)-2-cyano-3-(4-methylanilino)but-2-enamide | 120651-00-5

• 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: (Z)-2-cyano-3-(4-methylanilino)but-2-enamide
• CAS: 120651-00-5
• 化学式: C₁₂H₁₃N₃O
• 分子量: 215.255
• InChiKey: KMZDNPPPFLGOOH-LUAWRHEFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  78.9
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (Z)-2-cyano-3-(4-methylanilino)but-2-enamide 在 氢氧化钾 、 水 作用下， 以 甲苯 为溶剂， 反应 3.0h， 生成 2-cyano-4-(p-tolyl)pyridin-2-one
  参考文献：
  名称：

  Synthesis and hydrolytic cleavage of 1-aryl-5-cyano-6-(2-dimethylaminovinyl)-4-oxo(thioxo)-1,4-dihydropyrimidines

  摘要：

  1-Aryl-5-cyano-6-(2-dimethylaminovinyl)-4-oxo-1,4-dihydropyrimidines and their 4-thioxo analogs, which were prepared in three steps from cyanoacetamide and cyanothioacetamide, respectively, were subjected to hydrolysis. In aqueous AcOH, hydrolysis of N-(dimethylaminomethylene)-2-cyano-5-dimethylamino-2,4-pentadieneamide derivatives containing amino groups at position 3 afforded formylpyridones. The reaction of 2-cyano-3-dimethylaminothiocrotonamide with DMF dimethyl acetal gave rise to 3-cyano-4-dimethylamino-2-methylthiopyridine.

  DOI：

  10.1023/b:rucb.0000037857.07190.75
• 作为产物：
  描述：

  α-cyano-β-dimethylaminocrotonamide 、 乙烷,三氯氟- 在 溶剂黄146 作用下， 生成 (Z)-2-cyano-3-(4-methylanilino)but-2-enamide
  参考文献：
  名称：

  Synthesis and hydrolytic cleavage of 1-aryl-5-cyano-6-(2-dimethylaminovinyl)-4-oxo(thioxo)-1,4-dihydropyrimidines

  摘要：

  1-Aryl-5-cyano-6-(2-dimethylaminovinyl)-4-oxo-1,4-dihydropyrimidines and their 4-thioxo analogs, which were prepared in three steps from cyanoacetamide and cyanothioacetamide, respectively, were subjected to hydrolysis. In aqueous AcOH, hydrolysis of N-(dimethylaminomethylene)-2-cyano-5-dimethylamino-2,4-pentadieneamide derivatives containing amino groups at position 3 afforded formylpyridones. The reaction of 2-cyano-3-dimethylaminothiocrotonamide with DMF dimethyl acetal gave rise to 3-cyano-4-dimethylamino-2-methylthiopyridine.

  DOI：

  10.1023/b:rucb.0000037857.07190.75