3-[5-hydroxy-5-trifluoromethyl-4,5-dihydro-1H-pyrazol-3-yl]-4,6-dimethylpyridin-2(1H)-one

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 3-[5-hydroxy-5-trifluoromethyl-4,5-dihydro-1H-pyrazol-3-yl]-4,6-dimethylpyridin-2(1H)-one
• 英文别名: 3-[5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-3-yl]-4,6-dimethylpyridin-2(1H)-one；3-[5-hydroxy-5-(trifluoromethyl)-1,4-dihydropyrazol-3-yl]-4,6-dimethyl-1H-pyridin-2-one
• 化学式: C₁₁H₁₂F₃N₃O₂
• 分子量: 275.23
• InChiKey: KUXHNTSCIOGESP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  19
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  77.7
• 氢给体数：
  3
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  3-[5-hydroxy-5-trifluoromethyl-4,5-dihydro-1H-pyrazol-3-yl]-4,6-dimethylpyridin-2(1H)-one 在 盐酸 、 溶剂黄146 作用下， 以 水 为溶剂， 反应 5.0h， 以86%的产率得到4,6-dimethyl-3-[3(5)-(trifluoromethyl)pyrazol-5(3)-yl]pyridin-2(1H)-one
  参考文献：
  名称：

  摘要：

  On treatment with ammonia, primary amines, and pyrrolidine, 5,7-dimethyl-2-trifluoromethyl-8-azachromone undergoes ring opening to give beta-aminovinyl ketones. The reactions with morpholine and piperidine proceed as addition to give 2-morpholino- and 2-piperidino-8-azachromanones. With ethylene diamine, diethylenetriamines, hydrazine hydrate, and hydroxylamine, this compound reacts similarly to 2-polyfluoroalkylchromones, yielding CF3-containing dihydrodiazepines, pyrazoles, and isoxazoles,with a 2-pyridone substituent.

  DOI：

  10.1023/a:1026000619881
• 作为产物：
  描述：

  1-(4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)-4,4,4-trifluorobutane-1,3-dione 在 一水合肼 作用下， 以 1,4-二氧六环 、 乙醇 、 水 为溶剂， 反应 2.0h， 以68%的产率得到3-[5-hydroxy-5-trifluoromethyl-4,5-dihydro-1H-pyrazol-3-yl]-4,6-dimethylpyridin-2(1H)-one
  参考文献：
  名称：

  摘要：

  On treatment with ammonia, primary amines, and pyrrolidine, 5,7-dimethyl-2-trifluoromethyl-8-azachromone undergoes ring opening to give beta-aminovinyl ketones. The reactions with morpholine and piperidine proceed as addition to give 2-morpholino- and 2-piperidino-8-azachromanones. With ethylene diamine, diethylenetriamines, hydrazine hydrate, and hydroxylamine, this compound reacts similarly to 2-polyfluoroalkylchromones, yielding CF3-containing dihydrodiazepines, pyrazoles, and isoxazoles,with a 2-pyridone substituent.

  DOI：

  10.1023/a:1026000619881