4-amino-1,2,5-oxadiazol-3-yl(4-phenyl-1,2,3-triazol-1-yl)ketoxime | 667411-58-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 4-amino-1,2,5-oxadiazol-3-yl(4-phenyl-1,2,3-triazol-1-yl)ketoxime
• 英文别名: N-[(4-amino-1,2,5-oxadiazol-3-yl)-(4-phenyltriazol-1-yl)methylidene]hydroxylamine
• CAS: 667411-58-7
• 化学式: C₁₁H₉N₇O₂
• mdl: MFCD08532365
• 分子量: 271.238
• InChiKey: NSTLYIYGJOOLQU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  128
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  4-amino-1,2,5-oxadiazol-3-yl(4-phenyl-1,2,3-triazol-1-yl)ketoxime 在 硫酸 、 水 、 sodium nitrite 、 sodium azide 作用下， 以 水 为溶剂， 反应 0.25h， 以80%的产率得到4-azido-1,2,5-oxadiazol-3-yl(4-phenyl-1,2,3-triazol-1-yl)ketoxime
  参考文献：
  名称：

  摘要：

  By 1,3-dipolar addition of 1-azido(4-amino-1,2,5-oxadiazol-3-yl)aldoxime to propargyl alcohol and phenylacetylene bicyclic 4-amino-1,2,5-oxadiazol-3-yl(4-R-1,2,3-triazol-1-yl)ketoximes were obtained which in reaction with acetic anhydride afforded the corresponding O-acyl derivatives. Diazotization of 4-amino-1,2,5-oxadiazol-3-yl(4-R-1,2,3-triazol-1-yl)ketoximes furnished 4-azido derivatives. The treatment of 4-amino-1,2,5-oxadiazol-3-yl(4-hydroxymethyl-1,2,3-triazol-1-yl)ketoxime with SOCl2 resulted in 4-amino-1,2,5-oxadiazol-3-yl(4-chloromethyl-1,2,3-triazol-1-yl)ketoxime, whose chlorine atom was readily replaced by azide ion affording 4-amino-1,2,5-oxadiazol-3-1(4-azidomethyl-1,2,3-triazol-1-yl)ketoxime.

  DOI：

  10.1023/a:1026020204182
• 作为产物：
  描述：

  苯乙炔 、 4-amino-1,2,5-oxadiazole-3-carbohydroximoylazide 以53%的产率得到4-amino-1,2,5-oxadiazol-3-yl(4-phenyl-1,2,3-triazol-1-yl)ketoxime
  参考文献：
  名称：

  摘要：

  By 1,3-dipolar addition of 1-azido(4-amino-1,2,5-oxadiazol-3-yl)aldoxime to propargyl alcohol and phenylacetylene bicyclic 4-amino-1,2,5-oxadiazol-3-yl(4-R-1,2,3-triazol-1-yl)ketoximes were obtained which in reaction with acetic anhydride afforded the corresponding O-acyl derivatives. Diazotization of 4-amino-1,2,5-oxadiazol-3-yl(4-R-1,2,3-triazol-1-yl)ketoximes furnished 4-azido derivatives. The treatment of 4-amino-1,2,5-oxadiazol-3-yl(4-hydroxymethyl-1,2,3-triazol-1-yl)ketoxime with SOCl2 resulted in 4-amino-1,2,5-oxadiazol-3-yl(4-chloromethyl-1,2,3-triazol-1-yl)ketoxime, whose chlorine atom was readily replaced by azide ion affording 4-amino-1,2,5-oxadiazol-3-1(4-azidomethyl-1,2,3-triazol-1-yl)ketoxime.

  DOI：

  10.1023/a:1026020204182