5-methyl-2-phenyl-4-p-tolylimino-2,4-dihydro-pyrazol-3-one | 50818-03-6

• 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: 5-methyl-2-phenyl-4-p-tolylimino-2,4-dihydro-pyrazol-3-one
• 英文别名: 5-methyl-2-phenyl-4-p-tolylimino-2,4-dihydro-pyrazol-3-one
• CAS: 50818-03-6
• 化学式: C₁₇H₁₅N₃O
• 分子量: 277.326
• InChiKey: HSSKACBRWIISDQ-VLGSPTGOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.49
• 重原子数：
  21.0
• 可旋转键数：
  2.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  45.03
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  丙二腈 、 5-methyl-2-phenyl-4-p-tolylimino-2,4-dihydro-pyrazol-3-one 以 乙醇 为溶剂， 反应 0.5h， 以45%的产率得到2-(4-methylphenylamino)-2-(1,5-dihydro-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-ylidene)ethanenitrile
  参考文献：
  名称：

  ?-Arylamino-cyanomethylen-pyrazolinone aus Azomethinfarbstoffen und Malons�uredinitril

  摘要：

  The reaction of azomethine dyes (1a - g) with malonodinitrile (2) gives dicyanomethylene-pyrazolin-5-one (4) which immediately reacts with the eliminated anilines by HCN-amine exchange giving the deeply coloured arylamino-cyanomethylene-pyrazolinones (5a-g). Structural investigations and a study of the absorption characteristic are described.

  DOI：

  10.1002/prac.19933350411

文献信息

• ?-Arylamino-cyanomethylen-pyrazolinone aus Azomethinfarbstoffen und Malons�uredinitril
  作者：L. Hennig、G. Mann、C. Schellenberg、K. Franke

  DOI：10.1002/prac.19933350411

  日期：——

  The reaction of azomethine dyes (1a - g) with malonodinitrile (2) gives dicyanomethylene-pyrazolin-5-one (4) which immediately reacts with the eliminated anilines by HCN-amine exchange giving the deeply coloured arylamino-cyanomethylene-pyrazolinones (5a-g). Structural investigations and a study of the absorption characteristic are described.