1-diphenylmethyl-5-phenoxy-1H-1,2,4-triazol-3-amine | 1088834-19-8

• 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: 1-diphenylmethyl-5-phenoxy-1H-1,2,4-triazol-3-amine
• 英文别名: 1-Benzhydryl-5-phenoxy-1,2,4-triazol-3-amine；1-benzhydryl-5-phenoxy-1,2,4-triazol-3-amine
• CAS: 1088834-19-8
• 化学式: C₂₁H₁₈N₄O
• 分子量: 342.4
• InChiKey: DXBDYLNQNNXKPA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  26
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  66
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-diphenylmethyl-5-phenoxy-1H-1,2,4-triazol-3-amine 在 硫酸 作用下， 以 苯 为溶剂， 反应 12.0h， 以58.4%的产率得到1H-1,2,4-三唑-3-胺,5-苯氧基-
  参考文献：
  名称：

  Diphenylmethyl and tetrahydropyranyl protecting groups in the synthesis of 3-substituted 5-amino- and 5-hydrazino-1,2,4-triazoles

  摘要：

  The use of hydrazine as reagent in nucleophilic substitution and reduction in the 1,2,4-triazole series in combination with introduction of labile protecting groups makes it possible to synthesize 5-hydrazino3-vitro-1H-1,2,4-triazole and 3-chloro-5-hydrazino-lH-1,2,4-triazol-5-ylhydrazine which were difficultly accessible previously, as well as to extend the series of 3-substituted 5-amino-1H-1,2,4-triazoles.

  DOI：

  10.1134/s107036320712016x
• 作为产物：
  描述：

  1-diphenylmethyl-3-nitro-5-phenoxy-1H-1,2,4-triazole 在 一水合肼 作用下， 以 异丙醇 为溶剂， 反应 1.0h， 以72%的产率得到1-diphenylmethyl-5-phenoxy-1H-1,2,4-triazol-3-amine
  参考文献：
  名称：

  Diphenylmethyl and tetrahydropyranyl protecting groups in the synthesis of 3-substituted 5-amino- and 5-hydrazino-1,2,4-triazoles

  摘要：

  The use of hydrazine as reagent in nucleophilic substitution and reduction in the 1,2,4-triazole series in combination with introduction of labile protecting groups makes it possible to synthesize 5-hydrazino3-vitro-1H-1,2,4-triazole and 3-chloro-5-hydrazino-lH-1,2,4-triazol-5-ylhydrazine which were difficultly accessible previously, as well as to extend the series of 3-substituted 5-amino-1H-1,2,4-triazoles.

  DOI：

  10.1134/s107036320712016x

文献信息

• Diphenylmethyl and tetrahydropyranyl protecting groups in the synthesis of 3-substituted 5-amino- and 5-hydrazino-1,2,4-triazoles
  作者：V. V. Tolstyakov、I. V. Tselinskii、N. A. Dreving

  DOI：10.1134/s107036320712016x

  日期：2007.12

  The use of hydrazine as reagent in nucleophilic substitution and reduction in the 1,2,4-triazole series in combination with introduction of labile protecting groups makes it possible to synthesize 5-hydrazino3-vitro-1H-1,2,4-triazole and 3-chloro-5-hydrazino-lH-1,2,4-triazol-5-ylhydrazine which were difficultly accessible previously, as well as to extend the series of 3-substituted 5-amino-1H-1,2,4-triazoles.