| 1394906-36-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 恶嗪烷类
• CAS: 1394906-36-5
• 化学式: C₂₁H₂₇N₅O₅
• 分子量: 429.476
• InChiKey: UVZMFWIVVMAJKM-UEDWAMCQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.35
• 重原子数：
  31.0
• 可旋转键数：
  7.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.52
• 拓扑面积：
  109.62
• 氢给体数：
  1.0
• 氢受体数：
  9.0

反应信息

• 作为产物：
  描述：

  2-(叠氮基甲基)吡啶 、 N-[(3aS,4R,6S,7R,7aR)-4-ethynyl-2,2-dimethyl-6-prop-2-enoxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-7-yl]acetamide 在 copper(II) sulfate 、 sodium ascorbate 作用下， 以 甲醇 、 水 为溶剂， 反应 8.0h， 生成
  参考文献：
  名称：

  Resin-Supported Catalysts for CuAAC Click Reactions in Aqueous or Organic Solvents

  摘要：

  The copper-catalyzed azide-alkyne cycloaddition click reaction is a valuable process for the synthesis of libraries of drug candidates, derivatized polymers and materials, and a wide variety of other functional molecules. In some circumstances, the removal of the copper catalyst is both necessary and inconvenient. We describe here two immobilized forms of a Cu-binding ligand that has been shown to accelerate triazole formation under many different conditions, using different resin supports that are appropriate for aqueous or organic solvents. Copper leaching from these resins was modest, allowing them to be reused in many reaction/filtration cycles without recharging with metal ion. The utility of this catalyst form was demonstrated in the convenient synthesis of 20 N-acetylgalactosamine derivatives for biological testing.

  DOI：

  10.1021/co300076k