(1-phenyl-1H-1,2,3-triazol-5-yl)acetic acid | 1017399-29-9

• 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-phenyl-1H-1,2,3-triazol-5-yl)acetic acid
• 英文别名: 2-(1-Phenyl-1H-1,2,3-triazol-5-yl)acetic acid；2-(3-phenyltriazol-4-yl)acetic acid
• CAS: 1017399-29-9
• 化学式: C₁₀H₉N₃O₂
• 分子量: 203.2
• InChiKey: ADAVRMIRTZWXBK-UHFFFAOYSA-N

物化性质

• 熔点：
  128-129 °C(Solv: ethanol (64-17-5))
• 沸点：
  431.7±37.0 °C(Predicted)
• 密度：
  1.34±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  68
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  Ethyl 2-(3-phenyltriazol-4-yl)acetate 在 水 、 sodium hydroxide 作用下， 以 苯 为溶剂， 反应 2.0h， 生成 (1-phenyl-1H-1,2,3-triazol-5-yl)acetic acid
  参考文献：
  名称：

  Chemoselective reaction of aryl azides with ethyl 3-oxo-4-(triphenylphosphor- anylidene) butanoate

  摘要：

  The reaction of aryl azides with ethyl 3-oxo-4-(triphenylphosphoranylidene) butanoate has been studied under different conditions and it was found that the reaction occurs chemoselectively to form one of two possible isomers. Novel (1H-1,2,3-triazol-5-yl) acetic acids have been synthesized.

  DOI：

  10.1007/s10593-010-0452-y

文献信息

• Chemoselective reaction of aryl azides with ethyl 3-oxo-4-(triphenylphosphor- anylidene) butanoate
  作者：N. T. Pokhodylo、V. S. Matiychuk、M. D. Obushak

  DOI：10.1007/s10593-010-0452-y

  日期：2009.12

  The reaction of aryl azides with ethyl 3-oxo-4-(triphenylphosphoranylidene) butanoate has been studied under different conditions and it was found that the reaction occurs chemoselectively to form one of two possible isomers. Novel (1H-1,2,3-triazol-5-yl) acetic acids have been synthesized.