4-((1-(3-(methoxycarbonyl)benzyl)-1H-1,2,3-triazol-4-yl)methoxy)benzoic acid | 1450817-84-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-((1-(3-(methoxycarbonyl)benzyl)-1H-1,2,3-triazol-4-yl)methoxy)benzoic acid
• CAS: 1450817-84-1
• 化学式: C₁₉H₁₇N₃O₅
• 分子量: 367.361
• InChiKey: HZUCDPSROZOBEW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.39
• 重原子数：
  27.0
• 可旋转键数：
  7.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  103.54
• 氢给体数：
  1.0
• 氢受体数：
  7.0

反应信息

• 作为产物：
  描述：

  3-(溴甲基)苯甲酸甲酯 在 copper(l) iodide 、 sodium azide 、 O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate 、 N,N-二异丙基乙胺 作用下， 以 水 、 N,N-二甲基甲酰胺 、 丙酮 为溶剂， 反应 11.5h， 生成 4-((1-(3-(methoxycarbonyl)benzyl)-1H-1,2,3-triazol-4-yl)methoxy)benzoic acid
  参考文献：
  名称：

  One-pot esterification-click (CuAAC) and esterification–acetylene coupling (Glaser/Eglinton) for functionalization of Wang polystyrene resin

  摘要：

  We report three new sets of one-pot reactions for functionalization of Wang polystyrene resin and its derivatives. We first show that it is possible to combine esterification and CuAAC (Copper-Catalyzed Alkyne-Azide Cycloaddition) in a one-pot reaction with a very high yield. We also demonstrate for the first time that it is possible to combine esterification with either Glaser or Eglinton acetylene-couplings in a one-pot reaction. Finally, we show that the esterification, CuAAC, and Glaser-coupling reactions are all compatible with each other, and it is possible to run in parallel esterification/CuAAC and esterification/Glaser coupling in a single vessel. All reactions are performed at room temperature while the only separation method required is filtering and washing the resin. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2013.07.034