| 1009637-72-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 芘
• CAS: 1009637-72-2
• 化学式: C₁₀₄H₁₁₀O₁₂S₂
• 分子量: 1616.14
• InChiKey: UTPSSHFRONCATC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  26.66
• 重原子数：
  118.0
• 可旋转键数：
  48.0
• 环数：
  17.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  142.12
• 氢给体数：
  0.0
• 氢受体数：
  12.0

反应信息

• 作为反应物：
  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
• 作为产物：
  描述：

  2-[2-[2-[4-[25,34-Didodecyl-11-[4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]phenyl]-6-tridecacyclo[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-henicosaenyl]phenoxy]ethoxy]ethoxy]ethanol 、 对甲苯磺酰氯 在 4-二甲氨基吡啶 三乙胺 作用下， 以 二氯甲烷 为溶剂， 以49%的产率得到
  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