1-Hydroxy-5-methylpyrazole

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1-Hydroxy-5-methylpyrazole
• 英文别名: 1-hydroxy-5-methypyrazole；5-methyl-1H-pyrazol-1-ol
• 化学式: C₄H₆N₂O
• 分子量: 98.1044
• InChiKey: NYYQZMBHDDRMOJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  7
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  38
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  2-benzyl-5-methylpyrazole 1-oxide 在 2,6-二甲基吡啶 、 碘代三甲硅烷 作用下， 以 氯仿 为溶剂， 反应 14.0h， 以87%的产率得到1-Hydroxy-5-methylpyrazole
  参考文献：
  名称：

  Preparation of 1-Hydroxypyrazoles and 1-Hydroxy-1,2,3-triazoles by Dealkylation of Pyrazole and Triazole N-Oxides.

  摘要：

  1-Hydroxypyrazoles were obtained from 2-benzylpyrazole I-oxides by debenzylation with iodotrimethylsilane. 1-Hydroxy-1,2,3-triazoles were achieved from 2-benzyltriazole 1-oxides by debenzylation effected with cone. hydrobromic acid or from 2- or 3-p-methoxybenzyltriazole 1-oxides by de-p-methoxybenzylation accomplished by treatment with cone. sulfuric acid. 1-Methoxy-1,2,3-triazole was obtained by de-p-methoxybenzylation of 1-methoxy-3-p-methoxybenzyl-1,2,3-triazolium tetrafluoroborate accomplished by treatment with cone. sulfuric acid. 1-Hydroxypyrazole was selectively N-benzylated in absence of base to give 2-benzylpyrazole 1-oxide which, upon selective substitution at the 3-position and subsequent debenzylation, produced 3-substituted 1-hydroxypyrazole.

  DOI：

  10.3891/acta.chem.scand.50-0549

文献信息

• Reuther, Wolfgang; Baus, Ulf, Liebigs Annalen, 1995, # 8, p. 1563 - 1566
  作者：Reuther, Wolfgang、Baus, Ulf

  DOI：——

  日期：——

表征谱图