2,3,6,7,10-penta(decyloxy)-11-methoxytriphenylene | 836636-46-5

• 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-penta(decyloxy)-11-methoxytriphenylene
• 英文别名: 2,3,6,7,10-pentakis-decoxy-11-methoxytriphenylene
• CAS: 836636-46-5
• 化学式: C₆₉H₁₁₄O₆
• 分子量: 1039.66
• InChiKey: YEHZIWZDUFSJOS-UHFFFAOYSA-N

物化性质

• 沸点：
  959.1±60.0 °C(Predicted)
• 密度：
  0.963±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  22.75
• 重原子数：
  75.0
• 可旋转键数：
  51.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.74
• 拓扑面积：
  55.38
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  2,3,6,7,10-penta(decyloxy)-11-methoxytriphenylene 在 二苯基膦酸锂 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 以93.5%的产率得到2-hydroxy-3,6,7,10,11-pentakis(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
• 作为产物：
  描述：

  1,2-di(decyloxy)-4-iodobenzene 在 三氯化铁 、 铜 作用下， 以 二氯甲烷 为溶剂， 生成 2,3,6,7,10-penta(decyloxy)-11-methoxytriphenylene
  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