3,6-dimethyl-2-(3,5-dimethylpirazol-1-yl)pyrimidin-4(3H)-on | 1206694-34-9

• 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: 3,6-dimethyl-2-(3,5-dimethylpirazol-1-yl)pyrimidin-4(3H)-on
• 英文别名: 3,6-Dimethyl-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4(3h)-one；2-(3,5-dimethylpyrazol-1-yl)-3,6-dimethylpyrimidin-4-one
• CAS: 1206694-34-9
• 化学式: C₁₁H₁₄N₄O
• 分子量: 218.258
• InChiKey: IELNERMLCZRAGL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  50.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2-Hydrazino-1,4-dimethyl-pyrimidon-(6) 、 乙酰丙酮 以 正丁醇 为溶剂， 反应 2.0h， 生成 3,6-dimethyl-2-(3,5-dimethylpirazol-1-yl)pyrimidin-4(3H)-on
  参考文献：
  名称：

  6-Methyl-2-(3-methyl-5-oxo-2,5-dihydropyrazolyl)-pyrimidin-4(1H)-one as CH acid in Michael reaction

  摘要：

  Addition of 6-methyl-2-(3-methyl-5-oxo-2,5-dihydropyrazol-1-yl)pyrimidin-4(1H)-one, a compound with two CH-acidic centers, to 5-benzylidenepyrimidine-2,4,6(1H,3H,5H)-trione proceeds with the participation of the atom C-5 of pyrimidine ring. Under the realized reaction conditions the latter possesses a greater nucleophilicity as a result of the priority ionization. The obtained Michael adduct is unstable in the neutral aqueous medium and is decomposed into initial oxopyrazolylpyrimidinone, pyrimidine-2,4,6-(1H,3H,5H)-trione, and benzaldehyde.

  DOI：

  10.1134/s1070363209070214