2,4,6-tris[1'-(4''-n-decyloxyphenyl)-1',2',3'-triazol-4'-yl]-1,3,5-triazine | 1217543-51-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2,4,6-tris[1'-(4''-n-decyloxyphenyl)-1',2',3'-triazol-4'-yl]-1,3,5-triazine
• 英文别名: 2,4,6-Tris[1-(4-decoxyphenyl)triazol-4-yl]-1,3,5-triazine；2,4,6-tris[1-(4-decoxyphenyl)triazol-4-yl]-1,3,5-triazine
• CAS: 1217543-51-5
• 化学式: C₅₇H₇₈N₁₂O₃
• 分子量: 979.325
• InChiKey: JQGNNEQUYBIFLE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  16.8
• 重原子数：
  72
• 可旋转键数：
  36
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  159
• 氢给体数：
  0
• 氢受体数：
  12

反应信息

• 作为产物：
  描述：

  1-azido-4-decyloxy-benzene 、 2,4,6-tris[(trimethylsilyl)ethynyl]-1,3,5-triazine 在 copper(ll) sulfate pentahydrate 、 四丁基氟化铵 、 sodium ascorbate 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 12.0h， 以45%的产率得到2,4,6-tris[1'-(4''-n-decyloxyphenyl)-1',2',3'-triazol-4'-yl]-1,3,5-triazine
  参考文献：
  名称：

  Tris(triazolyl)triazine via Click-Chemistry: A C₃ Electron-Deficient Core with Liquid Crystalline and Luminescent Properties

  摘要：

  The synthesis of a novel core based on tris(triazolyl)triazine has been accomplished by a one-pot procedure that combines a 3-fold deprotection of alkyne groups and "click chemistry" of the aromatic alkyne and azide precursors. The procedure is straightforward for the preparation of functional materials for organic electronics. Indeed, compounds with low reduction potential are obtained. These compounds also show liquid crystalline behavior, displaying columnar mesophases at room temperature, and are luminescent in the visible region both in solution and In thin films.

  DOI：

  10.1021/ol902900y

文献信息

• Tris(triazolyl)triazine via Click-Chemistry: A <i>C</i>₃ Electron-Deficient Core with Liquid Crystalline and Luminescent Properties
  作者：Eduardo Beltrán、José Luis Serrano、Teresa Sierra、Raquel Giménez

  DOI：10.1021/ol902900y

  日期：2010.4.2

  The synthesis of a novel core based on tris(triazolyl)triazine has been accomplished by a one-pot procedure that combines a 3-fold deprotection of alkyne groups and "click chemistry" of the aromatic alkyne and azide precursors. The procedure is straightforward for the preparation of functional materials for organic electronics. Indeed, compounds with low reduction potential are obtained. These compounds also show liquid crystalline behavior, displaying columnar mesophases at room temperature, and are luminescent in the visible region both in solution and In thin films.