2-(benzylidenehydrazino)-6-methylpyrimidin-4(3H)-one

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 2-(benzylidenehydrazino)-6-methylpyrimidin-4(3H)-one
• 英文别名: Benz-aldehyde 6-methyl-4-hydroxy-2-pyrimidylhydrazone；2-(2-benzylidenehydrazinyl)-4-methyl-1H-pyrimidin-6-one
• 化学式: C₁₂H₁₂N₄O
• mdl: MFCD01245822
• 分子量: 228.253
• InChiKey: VGHMMSWSJBDFKP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  65.8
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  甲基硫脲嘧啶 在 sodium hydroxide 、 一水合肼 作用下， 反应 3.5h， 生成 2-(benzylidenehydrazino)-6-methylpyrimidin-4(3H)-one
  参考文献：
  名称：

  Synthesis of 2-(Pyrazol-1-yl)pyrimidine Derivatives by Cyclocondensation of Ethyl Acetoacetate (6-Methyl-4-oxo-3,4-dihydropyrimidin-2-yl)hydrazone with Aromatic Aldehydes

  摘要：

  2-(4-Arylidene-3-methyl-5-oxo-4,5-dihydropyrazol-1-yl)-6-methylpyrimidin-4(3H)-ones were obtained by reaction of ethyl acetoacetate (6-methyl-4-oxo-3,4-dihydropyrimidin-2-yl)hydrazone with aromatic aldehydes. Successful cyclization occurs with aldehydes containing an auxochromic substituent in the para position.

  DOI：

  10.1023/b:rugc.0000030401.30369.4d

文献信息

• Synthesis of 2-(Pyrazol-1-yl)pyrimidine Derivatives by Cyclocondensation of Ethyl Acetoacetate (6-Methyl-4-oxo-3,4-dihydropyrimidin-2-yl)hydrazone with Aromatic Aldehydes
  作者：A. V. Erkin、V. I. Krutikov、M. A. Chubraev

  DOI：10.1023/b:rugc.0000030401.30369.4d

  日期：2004.3

  2-(4-Arylidene-3-methyl-5-oxo-4,5-dihydropyrazol-1-yl)-6-methylpyrimidin-4(3H)-ones were obtained by reaction of ethyl acetoacetate (6-methyl-4-oxo-3,4-dihydropyrimidin-2-yl)hydrazone with aromatic aldehydes. Successful cyclization occurs with aldehydes containing an auxochromic substituent in the para position.