1,3,5-tris(1-(3,5-diethynyl-4-methylphenyl)-1H-1,2,3-triazol-4-yl)benzene | 1593194-11-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1,3,5-tris(1-(3,5-diethynyl-4-methylphenyl)-1H-1,2,3-triazol-4-yl)benzene
• CAS: 1593194-11-6
• 化学式: C₄₅H₂₇N₉
• 分子量: 693.77
• InChiKey: UZHYLFLHSYTSRD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.24
• 重原子数：
  54.0
• 可旋转键数：
  6.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  92.13
• 氢给体数：
  0.0
• 氢受体数：
  9.0

反应信息

• 作为反应物：
  描述：

  1,3,5-tris(1-(3,5-diethynyl-4-methylphenyl)-1H-1,2,3-triazol-4-yl)benzene 、 2'-azido-5'-phenyl-1,1':3',1''-terphenyl 在 copper(ll) sulfate pentahydrate 、 sodium ascorbate 、 三乙胺 、 三[(1-苄基-1H-1,2,3-三唑-4-基)甲基]胺 作用下， 以 四氢呋喃 为溶剂， 反应 16.0h， 以42%的产率得到4-[3,5-Bis[1-[4-methyl-3,5-bis[1-(2,4,6-triphenylphenyl)triazol-4-yl]phenyl]triazol-4-yl]phenyl]-1-[4-methyl-3,5-bis[1-(2,4,6-triphenylphenyl)triazol-4-yl]phenyl]triazole
  参考文献：
  名称：

  Shape persistent hybrid dendrimers from benzene and triazole via ‘click chemistry’

  摘要：

  Fully aromatic rigid dendrimers have been synthesized at room temperature based on two different 'click'-reactions: The dendronization was carried out via the copper catalyzed azide alkyne Huisgen cycloaddition or Diels Alder cycloaddition, respectively. The feasible combination of both reactions leads to dendrimer hybrids. Stiff aromatic dendrimers, whose highly nitrogen containing scaffolds are solely based on interconnected benzene and triazole rings, were created. (c) 2014 Published by Elsevier Ltd.

  DOI：

  10.1016/j.tet.2014.03.037
• 作为产物：
  描述：

  1,3,5-tris(1-(4-methyl-3,5-bis((triisopropylsilyl)ethynyl)phenyl)-1H-1,2,3-triazol-4-yl)benzene 在 四丁基氟化铵 作用下， 以 四氢呋喃 为溶剂， 反应 2.0h， 以78%的产率得到1,3,5-tris(1-(3,5-diethynyl-4-methylphenyl)-1H-1,2,3-triazol-4-yl)benzene
  参考文献：
  名称：

  Shape persistent hybrid dendrimers from benzene and triazole via ‘click chemistry’

  摘要：

  Fully aromatic rigid dendrimers have been synthesized at room temperature based on two different 'click'-reactions: The dendronization was carried out via the copper catalyzed azide alkyne Huisgen cycloaddition or Diels Alder cycloaddition, respectively. The feasible combination of both reactions leads to dendrimer hybrids. Stiff aromatic dendrimers, whose highly nitrogen containing scaffolds are solely based on interconnected benzene and triazole rings, were created. (c) 2014 Published by Elsevier Ltd.

  DOI：

  10.1016/j.tet.2014.03.037