2-{4-[4-(benzylamino-diphenyl-methyl)-[1,2,3]triazol-1-yl]-butoxy}-benzoic acid 2-methoxy-ethyl ester | 1263214-82-9

• 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: 2-{4-[4-(benzylamino-diphenyl-methyl)-[1,2,3]triazol-1-yl]-butoxy}-benzoic acid 2-methoxy-ethyl ester
• 英文别名: 2-Methoxyethyl 2-[4-[4-[(benzylamino)-diphenylmethyl]triazol-1-yl]butoxy]benzoate
• CAS: 1263214-82-9
• 化学式: C₃₆H₃₈N₄O₄
• 分子量: 590.722
• InChiKey: DYMSOWVJCFEJFE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.8
• 重原子数：
  44
• 可旋转键数：
  17
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  87.5
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  2-{4-[4-(benzylamino-diphenyl-methyl)-[1,2,3]triazol-1-yl]-butoxy}-benzoic acid 2-methoxy-ethyl ester 在 吡啶 作用下， 以 乙腈 为溶剂， 反应 24.0h， 生成 benzylcarbamic acid 1,1-dimethylprop-2-ynyl ester
  参考文献：
  名称：

  Novel triazolyl derivatives for acidic release of amines

  摘要：

  Triazolyl derivatives of amines were prepared using click chemistry and evaluated as releasing systems in mildly acidic environments. Triazolylcarbamates and alkylamines were obtained, depending on the reactivity of the propargylic intermediates used for the Huisgen cycloaddition. A fast hydrolysis of some derivatives in mildly acidic conditions was achieved. The relative rates were correlated to a proposed mechanism highlighting the complementary role of the triazole ring and carbocation reactivity/stability. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2010.11.026
• 作为产物：
  描述：

  2-{4-[4-(hydroxy-diphenyl-methyl)-[1,2,3]triazol-1-yl]-butoxy}-benzoic acid 2-methoxy-ethyl ester 在 盐酸 、 三乙胺 作用下， 以 乙醚 、 二氯甲烷 为溶剂， 反应 2.0h， 生成 2-{4-[4-(benzylamino-diphenyl-methyl)-[1,2,3]triazol-1-yl]-butoxy}-benzoic acid 2-methoxy-ethyl ester
  参考文献：
  名称：

  Novel triazolyl derivatives for acidic release of amines

  摘要：

  Triazolyl derivatives of amines were prepared using click chemistry and evaluated as releasing systems in mildly acidic environments. Triazolylcarbamates and alkylamines were obtained, depending on the reactivity of the propargylic intermediates used for the Huisgen cycloaddition. A fast hydrolysis of some derivatives in mildly acidic conditions was achieved. The relative rates were correlated to a proposed mechanism highlighting the complementary role of the triazole ring and carbocation reactivity/stability. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2010.11.026