6,11-Bis[4-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]phenyl]-25,34-didodecyltridecacyclo[28.12.0.02,15.03,8.04,41.09,14.013,18.016,29.017,22.023,28.027,32.031,36.037,42]dotetraconta-1(42),2(15),3,5,7,9,11,13,16,18,20,22,24,26,28,30,32,34,36,38,40-henicosaene | 1009637-71-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 芘
• 英文名称: 6,11-Bis[4-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]phenyl]-25,34-didodecyltridecacyclo[28.12.0.02,15.03,8.04,41.09,14.013,18.016,29.017,22.023,28.027,32.031,36.037,42]dotetraconta-1(42),2(15),3,5,7,9,11,13,16,18,20,22,24,26,28,30,32,34,36,38,40-henicosaene
• CAS: 1009637-71-1
• 化学式: C₉₀H₉₆N₆O₆
• 分子量: 1357.79
• InChiKey: CJTUWPLWYHHZIS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  29.4
• 重原子数：
  102
• 可旋转键数：
  44
• 环数：
  15.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  84.1
• 氢给体数：
  0
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  在 sodium azide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 96.0h， 以81%的产率得到6,11-Bis[4-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]phenyl]-25,34-didodecyltridecacyclo[28.12.0.02,15.03,8.04,41.09,14.013,18.016,29.017,22.023,28.027,32.031,36.037,42]dotetraconta-1(42),2(15),3,5,7,9,11,13,16,18,20,22,24,26,28,30,32,34,36,38,40-henicosaene
  参考文献：
  名称：

  Radially Diblock Nanotube:  Site-Selective Functionalization of a Tubularly Assembled Hexabenzocoronene

  摘要：

  An amphiphilic Gemini-shape hexa-peri-hexabenzocoronene (1) with azide functionalities self-assembles to form graphitic nanotubes whose interior and exterior surfaces can be post-functionalized by "click chemistry". A click reaction of the nanotubes with bulky macromolecules such as a dendronized alkyne (G2-alkyne) takes place site-selectively on the exterior surface of the nanotubes, leaving the azide functionalities on the interior surface mostly intact. A subsequent click reaction of the resulting nanotubes with alkynes having a much smaller steric bulk allows the remaining azide groups to be funtionalized, affording radially diblock graphitic nanotubes.

  DOI：

  10.1021/ja075822b