4-methoxy-2-phenyl-6-trifluoromethylpyrimidine

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 4-methoxy-2-phenyl-6-trifluoromethylpyrimidine
• 英文别名: 4-Methoxy-2-phenyl-6-(trifluoromethyl)pyrimidine
• 化学式: C₁₂H₉F₃N₂O
• 分子量: 254.211
• InChiKey: BRTIARZQKUWSGN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  35
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  4-hydroxy-2-phenyl-4-trifluoromethyl-2-imidazolin-5-one 在 氯化亚砜 作用下， 以 乙醚 、 甲苯 为溶剂， 生成 4-methoxy-2-phenyl-6-trifluoromethylpyrimidine
  参考文献：
  名称：

  Reactions of 3,3,3-trifluoropyruvates with amidines ? New trifluoromethyl substituted heterocyclic ?building blocks?

  摘要：

  4-Hydroxy-4-trifluoromethyl-2-imidazolin-5-ones are obtained in good yields upon reaction of 3,3,3-trifluoropyruvates with amidines. Subsequent treatment of these heterocycles with thionyl chloride gives 4-chloro-4-trifluoromethyl-2-imidazolin-5-ones which proved to be versatile trifluoromethyl substituted building blocks. Substitution of chloride is feasible with a variety of hetero and carbon nucleophiles. Ring expansion with diazo compounds affords trifluoromethyl substituted pyrimidines.

  DOI：

  10.1007/bf00816413

文献信息

• Sewald N., Burger K., Monatsh. Chem, 124 (1993) N 8-9, S 899-907
  作者：Sewald N., Burger K.

  DOI：——

  日期：——
• Reactions of 3,3,3-trifluoropyruvates with amidines ? New trifluoromethyl substituted heterocyclic ?building blocks?
  作者：N. Sewald、K. Burger

  DOI：10.1007/bf00816413

  日期：——

  4-Hydroxy-4-trifluoromethyl-2-imidazolin-5-ones are obtained in good yields upon reaction of 3,3,3-trifluoropyruvates with amidines. Subsequent treatment of these heterocycles with thionyl chloride gives 4-chloro-4-trifluoromethyl-2-imidazolin-5-ones which proved to be versatile trifluoromethyl substituted building blocks. Substitution of chloride is feasible with a variety of hetero and carbon nucleophiles. Ring expansion with diazo compounds affords trifluoromethyl substituted pyrimidines.

表征谱图