tris[1-(3-hydroxypropyl)-1H-1,2,3-triazol-4-yl]methanol

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: tris[1-(3-hydroxypropyl)-1H-1,2,3-triazol-4-yl]methanol
• 英文别名: 3-[4-[Hydroxy-bis[1-(3-hydroxypropyl)triazol-4-yl]methyl]triazol-1-yl]propan-1-ol；3-[4-[hydroxy-bis[1-(3-hydroxypropyl)triazol-4-yl]methyl]triazol-1-yl]propan-1-ol
• 化学式: C₁₆H₂₅N₉O₄
• 分子量: 407.432
• InChiKey: WAHZNCGNGLOUDH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -3.6
• 重原子数：
  29
• 可旋转键数：
  12
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  173
• 氢给体数：
  4
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  copper(l) chloride 、 tris[1-(3-hydroxypropyl)-1H-1,2,3-triazol-4-yl]methanol 以 甲醇 为溶剂， 生成
  参考文献：
  名称：

  An ‘in-water’ halogen-ion compatible “click” catalyst for cucurbituril guest ligation

  摘要：

  Most of the cucurbituril (CB) guests are water soluble cationic compounds with halogen counter-ions. Here, an in-water' halogen-ion compatible copper catalysed azide-alkyne cycloaddition (CuAAC) catalyst, tris[1-(3-hyroxypropyl)-1H-1,2,3-triazol-4-yl]methanolCuCl (THPTMCuCl), was designed for CB guest ligation. The catalyst demonstrates not only high catalytic activity, but also compatibility to cationic substrates, halogen-ions and free amino groups. A CB[8]-based star pseudo[5]rotaxane and a CB[7]-based main-chain alternative polypseudorotaxane were constructed using THPTMCuCl, which further verified its applicability for the construction of CB-based supramolecular architectures.

  DOI：

  10.1080/10610278.2016.1142089
• 作为产物：
  描述：

  3-叠氮基丙醇 、 tris(trimethylsilylethynyl)methanol 在 potassium carbonate 、 tris(1-benzyl-1H-1,2,3-triazol-4-yl)methanol copper chloride 作用下， 以 甲醇 、 水 为溶剂， 反应 30.0h， 生成 tris[1-(3-hydroxypropyl)-1H-1,2,3-triazol-4-yl]methanol
  参考文献：
  名称：

  An ‘in-water’ halogen-ion compatible “click” catalyst for cucurbituril guest ligation

  摘要：

  Most of the cucurbituril (CB) guests are water soluble cationic compounds with halogen counter-ions. Here, an in-water' halogen-ion compatible copper catalysed azide-alkyne cycloaddition (CuAAC) catalyst, tris[1-(3-hyroxypropyl)-1H-1,2,3-triazol-4-yl]methanolCuCl (THPTMCuCl), was designed for CB guest ligation. The catalyst demonstrates not only high catalytic activity, but also compatibility to cationic substrates, halogen-ions and free amino groups. A CB[8]-based star pseudo[5]rotaxane and a CB[7]-based main-chain alternative polypseudorotaxane were constructed using THPTMCuCl, which further verified its applicability for the construction of CB-based supramolecular architectures.

  DOI：

  10.1080/10610278.2016.1142089