2-benzyl-4-hydroxy-1,2,3-triazole | 109299-71-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-benzyl-4-hydroxy-1,2,3-triazole
• 英文别名: 2-benzyl-4-hydroxytriazole；2-benzyl-2H-1,2,3-triazol-4-ol；2-benzyl-1H-triazol-5-one
• CAS: 109299-71-0
• 化学式: C₉H₉N₃O
• 分子量: 175.19
• InChiKey: GYPIEEJNWNSGIY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  44.7
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2-benzyl-1,2,3-triazole 1-oxide 在 sodium hydroxide 作用下， 以 水 为溶剂， 反应 73.0h， 生成 2-benzyl-4-hydroxy-1,2,3-triazole
  参考文献：
  名称：

  Begtrup, Mikael; Nytoft, Hans Peter, Acta chemica Scandinavica. Series B: Organic chemistry and biochemistry, 1986, vol. 40, # 4, p. 262 - 269

  摘要：

  DOI：

文献信息

• Preparation of 1-Hydroxypyrazoles and 1-Hydroxy-1,2,3-triazoles by Dealkylation of Pyrazole and Triazole N-Oxides.
  作者：Mikael Begtrup、Per Vedsø、Ingrid Hegbom、Eli Ranes、Bente Nielsen、Ruby I. Nielsen、Carl Erik Olsen、Connie N. Rosendahl、Monika Haugg、Nathalie Trabesinger-Rüf、Elmar G. Weinhold

  DOI：10.3891/acta.chem.scand.50-0549

  日期：——

  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.
• BEGTRUP, M.;NYTOFT, H. P., ACTA CHEM. SCAND., 1986, 40, N 4, 262-269
  作者：BEGTRUP, M.、NYTOFT, H. P.

  DOI：——

  日期：——
• Begtrup, Mikael; Nytoft, Hans Peter, Acta chemica Scandinavica. Series B: Organic chemistry and biochemistry, 1986, vol. 40, # 4, p. 262 - 269
  作者：Begtrup, Mikael、Nytoft, Hans Peter

  DOI：——

  日期：——

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