1-(2-amino-6-methylpyrimidin-4-yl)-5-difluoromethyl-3-phenyl-4,5-dihydro-1H-pyrazol-5-ol | 1619900-09-2

• 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: 1-(2-amino-6-methylpyrimidin-4-yl)-5-difluoromethyl-3-phenyl-4,5-dihydro-1H-pyrazol-5-ol
• 英文别名: 1-(2-Amino-6-methylpyrimidin-4-yl)-5-difluoro-methyl-3-phenyl-4,5-dihydro-1h-pyrazol-5-ol；2-(2-amino-6-methylpyrimidin-4-yl)-3-(difluoromethyl)-5-phenyl-4H-pyrazol-3-ol
• CAS: 1619900-09-2
• 化学式: C₁₅H₁₅F₂N₅O
• 分子量: 319.314
• InChiKey: KGGUIBCFCJEUIX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  23
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  87.6
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  1-(2-amino-6-methylpyrimidin-4-yl)-5-difluoromethyl-3-phenyl-4,5-dihydro-1H-pyrazol-5-ol 、 乙酸酐 反应 5.0h， 生成
  参考文献：
  名称：

  Fluoroalkyl-substituted lithium 1,3-diketonates in reactions with hetarylhydrazines

  摘要：

  Fluoroalkyl-substituted lithium 1,3-diketonates reacted with 4-hydrazinyl-6-methylpyrimidin-2-amine, 2,6-dimethylpyrimidin-4-ylhydrazine, 7-fluoroquinoxalin-6-ylhydrazine, and benzothiazol-2-ylhydrazine to give the corresponding hetaryl-substituted pyrazoles. The molecular and crystal structures of 4-methyl-6-(3-methyl-5-trifluoromethyl-1H-pyrazol-1-yl)pyrimidin-2-amine and 4-(5-difluoromethyl-4,5,6,7-tetrahydro-2H-indazol-2-yl)-6-methylpyrimidin-2-amine were determined by X-ray analysis.

  DOI：

  10.1134/s1070428014060013
• 作为产物：
  描述：

  2-氨基-4-肼基-6-甲基嘧啶 、 lithium 4,4-difluoro-1-phenylbutane-1,3-dionate 在 溶剂黄146 作用下， 以 乙醇 为溶剂， 以47%的产率得到1-(2-amino-6-methylpyrimidin-4-yl)-5-difluoromethyl-3-phenyl-4,5-dihydro-1H-pyrazol-5-ol
  参考文献：
  名称：

  Fluoroalkyl-substituted lithium 1,3-diketonates in reactions with hetarylhydrazines

  摘要：

  Fluoroalkyl-substituted lithium 1,3-diketonates reacted with 4-hydrazinyl-6-methylpyrimidin-2-amine, 2,6-dimethylpyrimidin-4-ylhydrazine, 7-fluoroquinoxalin-6-ylhydrazine, and benzothiazol-2-ylhydrazine to give the corresponding hetaryl-substituted pyrazoles. The molecular and crystal structures of 4-methyl-6-(3-methyl-5-trifluoromethyl-1H-pyrazol-1-yl)pyrimidin-2-amine and 4-(5-difluoromethyl-4,5,6,7-tetrahydro-2H-indazol-2-yl)-6-methylpyrimidin-2-amine were determined by X-ray analysis.

  DOI：

  10.1134/s1070428014060013