2-[10-(pentafluorophenyloxycarbonyl)decyloxy]-3,6,7,10,11-penta(decyloxy)triphenylene

• 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: 2-[10-(pentafluorophenyloxycarbonyl)decyloxy]-3,6,7,10,11-penta(decyloxy)triphenylene
• 英文别名: (2,3,4,5,6-Pentafluorophenyl) 11-(3,6,7,10,11-pentakis-decoxytriphenylen-2-yl)oxyundecanoate；(2,3,4,5,6-pentafluorophenyl) 11-(3,6,7,10,11-pentakis-decoxytriphenylen-2-yl)oxyundecanoate
• 化学式: C₈₅H₁₃₁F₅O₈
• 分子量: 1375.96
• InChiKey: WDKGMXCEMRIBAU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  32.9
• 重原子数：
  98
• 可旋转键数：
  64
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  81.7
• 氢给体数：
  0
• 氢受体数：
  13

反应信息

• 作为产物：
  描述：

  五氟苯酚 、 2-(10-carboxydecyloxy)-3,6,7,10,11-penta(decyloxy)triphenylene 在 4-二甲氨基吡啶 、 N,N'-二环己基碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 以81.4%的产率得到2-[10-(pentafluorophenyloxycarbonyl)decyloxy]-3,6,7,10,11-penta(decyloxy)triphenylene
  参考文献：
  名称：

  Discotic Liquid Crystalline Poly(propylene imine) Dendrimers Based on Triphenylene

  摘要：

  The design, synthesis, and mesomorphic properties of a new series of homodendrimers consisting of the commercially available poly(propylene imine) (PPI) dendrimers (G = 1-5), PPI-(NH2)(n)(n = 4 8. 16, 32, 64), functionalized with a discotic triphenylene moiety are reported. The liquid crystalline behavior was investigated by means of differential scanning calorimetry (DSC), polarizing-light optical microscopy (POM), and X-ray diffractometry (XRD). All of the homodendrimers showed mesomorphic properties, with the second to fifth generations giving a hexagonal columnar mesophase (Col(h)) and the first generation a rectangular columnar mesophase (Col(r)). The X-ray study reveals that these mesophases show a highly ordered structure with segregation of triphenylenes and dendrimers into separate columns and a regular stacking distance inside the triphenylene columns. GPC analysis showed that the dendrimers had good monodispersity and MALDI-TOF studies of the first three generations gave good evidence that all of the terminal amino groups of the dendrimers were functionalized with a discotic unit.

  DOI：

  10.1021/ja0455906

文献信息

• Discotic Liquid Crystalline Poly(propylene imine) Dendrimers Based on Triphenylene
  作者：Mark D. McKenna、Joaquín Barberá、Mercedes Marcos、José Luis Serrano

  DOI：10.1021/ja0455906

  日期：2005.1.1

  The design, synthesis, and mesomorphic properties of a new series of homodendrimers consisting of the commercially available poly(propylene imine) (PPI) dendrimers (G = 1-5), PPI-(NH2)(n)(n = 4 8. 16, 32, 64), functionalized with a discotic triphenylene moiety are reported. The liquid crystalline behavior was investigated by means of differential scanning calorimetry (DSC), polarizing-light optical microscopy (POM), and X-ray diffractometry (XRD). All of the homodendrimers showed mesomorphic properties, with the second to fifth generations giving a hexagonal columnar mesophase (Col(h)) and the first generation a rectangular columnar mesophase (Col(r)). The X-ray study reveals that these mesophases show a highly ordered structure with segregation of triphenylenes and dendrimers into separate columns and a regular stacking distance inside the triphenylene columns. GPC analysis showed that the dendrimers had good monodispersity and MALDI-TOF studies of the first three generations gave good evidence that all of the terminal amino groups of the dendrimers were functionalized with a discotic unit.