bis[(1-cyanomethyl-1,2,3-triazol-4-yl)methyl] terephthalate

• 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: bis[(1-cyanomethyl-1,2,3-triazol-4-yl)methyl] terephthalate
• 英文别名: bis[[1-(cyanomethyl)triazol-4-yl]methyl] benzene-1,4-dicarboxylate
• 化学式: C₁₈H₁₄N₈O₄
• 分子量: 406.36
• InChiKey: ATXMKTIYUNSTBZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  30
• 可旋转键数：
  10
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  162
• 氢给体数：
  0
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  azidoacetonitrile 、 1,4-苯二羧酸 1,4-二-2-丙炔-1-基酯 以 乙醇 为溶剂， 以27%的产率得到bis[(1-cyanomethyl-1,2,3-triazol-4-yl)methyl] terephthalate
  参考文献：
  名称：

  Synthesis of Polycyclic Functionally-substituted Triazole- and Tetrazole-containing Systems

  摘要：

  Cycloaddition of organic mono- and diazides to the triple bond of propargyl esters of mono- and dicarboxylic acids gave rise to polycyclic 1,2,3-triazole-substituted carboxylates. Dipropargyl dicarboxylates with diazides afforded oligomeric products with alternating triazole and carboxylate fragments. Reaction of a dipropargyl ester with 5-azidomethyltetrazole furnished a tetracyclic system with alternating triazole and tetrazole rings.

  DOI：

  10.1023/b:rujo.0000045898.10072.7f

文献信息

• Synthesis of Polycyclic Functionally-substituted Triazole- and Tetrazole-containing Systems
  作者：L. I. Vereshchagin、V. N. Kizhnyaev、O. N. Verkhozina、A. G. Proidakov、A.I. Smirnov

  DOI：10.1023/b:rujo.0000045898.10072.7f

  日期：2004.8

  Cycloaddition of organic mono- and diazides to the triple bond of propargyl esters of mono- and dicarboxylic acids gave rise to polycyclic 1,2,3-triazole-substituted carboxylates. Dipropargyl dicarboxylates with diazides afforded oligomeric products with alternating triazole and carboxylate fragments. Reaction of a dipropargyl ester with 5-azidomethyltetrazole furnished a tetracyclic system with alternating triazole and tetrazole rings.