2-[2-[2-(2-Hydroxyethoxy)ethoxy]ethoxy]ethyl 4-[4-(hydroxymethyl)triazol-1-yl]benzoate | 1155418-77-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2-[2-[2-(2-Hydroxyethoxy)ethoxy]ethoxy]ethyl 4-[4-(hydroxymethyl)triazol-1-yl]benzoate
• CAS: 1155418-77-1
• 化学式: C₁₈H₂₅N₃O₇
• 分子量: 395.412
• InChiKey: XUUGNILYWVRKAO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.8
• 重原子数：
  28
• 可旋转键数：
  15
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  125
• 氢给体数：
  2
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  2-[2-[2-(2-Hydroxyethoxy)ethoxy]ethoxy]ethyl 4-azidobenzoate 、 2-丙炔-1-醇 在 copper(ll) sulfate pentahydrate 、 抗坏血酸 作用下， 以 水 为溶剂， 反应 1.0h， 以58%的产率得到2-[2-[2-(2-Hydroxyethoxy)ethoxy]ethoxy]ethyl 4-[4-(hydroxymethyl)triazol-1-yl]benzoate
  参考文献：
  名称：

  Kinetic Study on Huisgen Reaction Catalyzed by Copper(I): Triazol Formation from Water-Soluble Alkyne and Alkyl Azide

  摘要：

  The kinetics was examined for the copper(I)-catalyzed Huisgen reaction. Despite the complex reaction pathway, it was successfully analyzed by the second-order kinetics with equal amounts of two organic substrates in the presence of 0.1 equivalent of copper catalyst, after dividing the time course into two stages, the early and late ones. Both stages gave almost the same activation parameters. The reaction of water-soluble alkyl azide (1) was 60 times as fast as that of water-soluble aromatic azide (4) at the early stage and surprisingly 822 times after 15 min reaction time at 30 degrees C.

  DOI：

  10.3987/com-08-11592