5-(2-Hydroxy-phenyl)-3-(1,1,2,2-tetrafluoro-ethyl)-3,4-dihydro-2H-pyrazol-3-ol

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 5-(2-Hydroxy-phenyl)-3-(1,1,2,2-tetrafluoro-ethyl)-3,4-dihydro-2H-pyrazol-3-ol
• 英文别名: 3-(2-hydroxyphenyl)-5-(1,1,2,2-tetrafluoroethyl)-4,5-dihydro-1H-pyrazol-5-ol；3-(2-hydroxyphenyl)-5-(1,1,2,2-tetrafluoroethyl)-1,4-dihydropyrazol-5-ol
• 化学式: C₁₁H₁₀F₄N₂O₂
• 分子量: 278.206
• InChiKey: XZEGUSYQQUDOCH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  64.8
• 氢给体数：
  3
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  5-(2-Hydroxy-phenyl)-3-(1,1,2,2-tetrafluoro-ethyl)-3,4-dihydro-2H-pyrazol-3-ol 在 盐酸 、 溶剂黄146 作用下， 反应 0.08h， 生成 2-[5-(1,1,2,2-Tetrafluoro-ethyl)-1H-pyrazol-3-yl]-phenol
  参考文献：
  名称：

  摘要：

  The reaction of 2-hydroxy-2-polyfluoroalkylchroman-4-ones with hydrazine affords 5-hydroxy-3-(2-hydroxyaryl)-5-polyfluoroalkyl-Delta(2)-pyrazolines, whereas 2-polyfluoroalkylchromones under similar conditions produce 3(5)-(2-hydroxyaryl)-5(3)-polyfluoroalkylpyrazoles. 5 - (2-Hydroxyaryl)-1-methyl-3-polyfluoroalkylpyrazoles were synthesized in the reaction with methylhydrazine, and the reaction with phenylhydrazine afforded regioisomeric 3(5)-(2-hydroxyphenyl)-1-phenyl-5(3)-polyfluoroalkylpyrazoles.

  DOI：

  10.1023/a:1020960815497
• 作为产物：
  描述：

  2-hydroxy-2-(1,1,2,2-tetrafluoroethyl)-2,3-dihydro-4H-chromen-4-one 在 一水合肼 作用下， 以 乙醇 为溶剂， 反应 0.25h， 以65%的产率得到5-(2-Hydroxy-phenyl)-3-(1,1,2,2-tetrafluoro-ethyl)-3,4-dihydro-2H-pyrazol-3-ol
  参考文献：
  名称：

  摘要：

  The reaction of 2-hydroxy-2-polyfluoroalkylchroman-4-ones with hydrazine affords 5-hydroxy-3-(2-hydroxyaryl)-5-polyfluoroalkyl-Delta(2)-pyrazolines, whereas 2-polyfluoroalkylchromones under similar conditions produce 3(5)-(2-hydroxyaryl)-5(3)-polyfluoroalkylpyrazoles. 5 - (2-Hydroxyaryl)-1-methyl-3-polyfluoroalkylpyrazoles were synthesized in the reaction with methylhydrazine, and the reaction with phenylhydrazine afforded regioisomeric 3(5)-(2-hydroxyphenyl)-1-phenyl-5(3)-polyfluoroalkylpyrazoles.

  DOI：

  10.1023/a:1020960815497

文献信息

• ——
  作者：V. Ya. Sosnovskikh、M. A. Barabanov、A. Yu. Sizov

  DOI：10.1023/a:1020960815497

  日期：——

  The reaction of 2-hydroxy-2-polyfluoroalkylchroman-4-ones with hydrazine affords 5-hydroxy-3-(2-hydroxyaryl)-5-polyfluoroalkyl-Delta(2)-pyrazolines, whereas 2-polyfluoroalkylchromones under similar conditions produce 3(5)-(2-hydroxyaryl)-5(3)-polyfluoroalkylpyrazoles. 5 - (2-Hydroxyaryl)-1-methyl-3-polyfluoroalkylpyrazoles were synthesized in the reaction with methylhydrazine, and the reaction with phenylhydrazine afforded regioisomeric 3(5)-(2-hydroxyphenyl)-1-phenyl-5(3)-polyfluoroalkylpyrazoles.