2,3,6,7,10-Pentahexoxytriphenylene | 173426-25-0

• 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: 2,3,6,7,10-Pentahexoxytriphenylene
• CAS: 173426-25-0
• 化学式: C₄₈H₇₂O₅
• 分子量: 729.097
• InChiKey: BWQPURMPEWYHBS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  16.4
• 重原子数：
  53
• 可旋转键数：
  30
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  46.2
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  1-溴-2-(己氧基)苯 、 3,3',4,4'-tetrahexyloxybiphenyl 在 iron(III) chloride 作用下， 以 二氯甲烷 为溶剂， 反应 0.5h， 以75%的产率得到β-bromo-3,6,7,10,11-pentakis(hexyloxy)triphenylene
  参考文献：
  名称：

  Synthesis and Liquid-Crystalline Properties of β-Bromopentakis(Alkoxy) Triphenylene: Reactivity of VOCl₃, MoCl₅, and FeCl₃as Oxidants

  摘要：

  We present a simple synthetic strategy leading to nonsymmetrical functionalized hexasubstituted triphenylene. Further, new -bromopentakis(alkoxy)triphenylene was synthesized applying this strategy and reactivity of oxidizing agents such as VOCl3, MoCl5, and FeCl3 was investigated. The liquid-crystalline properties were studied by polarizing optical microscope (POM), differential scanning calorimetry (DSC), and X-ray diffraction (XRD) studies. The higher homologues exhibit a columnar hexagonal (Colh) phase, whereas lower homologues also exhibit a columnar hexagonal plastic (Colhp) phase. These mesophases are stable below and above the ambient temperature. We studied the effect of polar substitution on molecular self-assembly and found that a bromo bulky substituent at the -position of pentakis(alkoxy)triphenylenes stabilized the intra- or intermolecular interaction between the cores to form columnar mesophases.

  DOI：

  10.1080/15421406.2010.504514