4-((2,3,6,7,10-pentakis((1-n-hexyl-1H-1,2,3-triazol-4-yl)methoxy)triphenylen-11-yl-oxy)methyl)-1-n-hexyl-1H-1,2,3-triazole | 1350539-24-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 菲及其衍生物
• 英文名称: 4-((2,3,6,7,10-pentakis((1-n-hexyl-1H-1,2,3-triazol-4-yl)methoxy)triphenylen-11-yl-oxy)methyl)-1-n-hexyl-1H-1,2,3-triazole
• 英文别名: 1-Hexyl-4-[[3,6,7,10,11-pentakis[(1-hexyltriazol-4-yl)methoxy]triphenylen-2-yl]oxymethyl]triazole；1-hexyl-4-[[3,6,7,10,11-pentakis[(1-hexyltriazol-4-yl)methoxy]triphenylen-2-yl]oxymethyl]triazole
• CAS: 1350539-24-0
• 化学式: C₇₂H₁₀₂N₁₈O₆
• 分子量: 1315.72
• InChiKey: SAVODYATZHWABT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  14.1
• 重原子数：
  96
• 可旋转键数：
  48
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  240
• 氢给体数：
  0
• 氢受体数：
  18

反应信息

• 作为产物：
  描述：

  己基叠氮化物 、 2,3,6,7,10,11-hexakis(prop-2-ynyloxy)triphenylene 在 copper(l) iodide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以58%的产率得到4-((2,3,6,7,10-pentakis((1-n-hexyl-1H-1,2,3-triazol-4-yl)methoxy)triphenylen-11-yl-oxy)methyl)-1-n-hexyl-1H-1,2,3-triazole
  参考文献：
  名称：

  Triazole-Modified Triphenylene Derivative: Self-Assembly and Sensing Applications

  摘要：

  Triphenylene-based discotic liquid crystal 3 bearing 1,2,3-triazole groups has been synthesized using "click" chemistry. Discotic mesogen 3 has good thermal stability, and incorporation of triazole groups results in stabilization of columnar mesophases down to room temperature and formation of organogels in cyclohexane and mixed solvents such as hexane and dichloromethane (4:1 v/v). Characterization of the organogel of 3 in cyclohexane revealed a porous network. However, presence of Cd2+ ions in solution obstructed the self-assembly of this derivative due to preferred interactions between Cd2+ ions and triphenylene units over pi-pi interactions among triphenylene groups. Further, strong emission of derivative 3 in its nonaggregated form makes it a promising fluorescence sensory material for nitroaromatic compounds.

  DOI：

  10.1021/la203774p

文献信息

• Triazole-Modified Triphenylene Derivative: Self-Assembly and Sensing Applications
  作者：Vandana Bhalla、Hardev Singh、Manoj Kumar、S. Krishna Prasad

  DOI：10.1021/la203774p

  日期：2011.12.20

  Triphenylene-based discotic liquid crystal 3 bearing 1,2,3-triazole groups has been synthesized using "click" chemistry. Discotic mesogen 3 has good thermal stability, and incorporation of triazole groups results in stabilization of columnar mesophases down to room temperature and formation of organogels in cyclohexane and mixed solvents such as hexane and dichloromethane (4:1 v/v). Characterization of the organogel of 3 in cyclohexane revealed a porous network. However, presence of Cd2+ ions in solution obstructed the self-assembly of this derivative due to preferred interactions between Cd2+ ions and triphenylene units over pi-pi interactions among triphenylene groups. Further, strong emission of derivative 3 in its nonaggregated form makes it a promising fluorescence sensory material for nitroaromatic compounds.