2-(2-hydroxyimino-2-phenylethyl)-6-methylpyrimidin-4(3H)-one | 1426414-91-6

• 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-(2-hydroxyimino-2-phenylethyl)-6-methylpyrimidin-4(3H)-one
• 英文别名: 2-(2-Hydroxyimino-2-phenylethyl)-6-methylpyrimidin-4(3 h)-one；2-(2-hydroxyimino-2-phenylethyl)-4-methyl-1H-pyrimidin-6-one
• CAS: 1426414-91-6
• 化学式: C₁₃H₁₃N₃O₂
• 分子量: 243.265
• InChiKey: IDMDFNMRNZJGDY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  74
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  6-methyl-2-(2-oxo-2-phenylethylidene)-2,3-dihydropyrimidin-4(1H)-one 在 吡啶 、 盐酸羟胺 作用下， 以 乙醇 为溶剂， 反应 8.0h， 以46%的产率得到2-(2-hydroxyimino-2-phenylethyl)-6-methylpyrimidin-4(3H)-one
  参考文献：
  名称：

  Reaction of 6-methyl-2-(2-oxo-2-phenyl-ethylidene)-2,3-dihydropyrimidin-4(1H)-one with hydrazine and hydroxylamine

  摘要：

  The reaction of 6-methyl-2-(2-oxo-2-phenylethylidene)-2,3-dihydropyrimidin-4(1H)-one and of its nitrosation product with hydroxylamine stops at the stage of forming the corresponding oximes. The reaction of 6-methyl-2-(2-oxo-2-phenylethylidene)-2,3-dihydropyrimidin-4(1H)-one with hydrazine yields a mixture of 3-amino-5-phenylpyrazole and 3-methyl-2-pyrazolin-5-one in 71 and 62% yields, respectively. The ketoxime is used in the synthesis of a series of imidazole N(3)-oxides substituted at the 1, 4, and 5 positions of the imidazole ring.

  DOI：

  10.1007/s10593-013-1162-z