2-(6-(4-aminophenoxy)hexyloxy)-3,6,7,10,11-pentakis(dodecyloxy)triphenylene | 1581300-80-2

• 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-(6-(4-aminophenoxy)hexyloxy)-3,6,7,10,11-pentakis(dodecyloxy)triphenylene
• CAS: 1581300-80-2
• 化学式: C₉₀H₁₄₉NO₇
• 分子量: 1357.18
• InChiKey: HUWDHDHNXHVSSA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  29.25
• 重原子数：
  98.0
• 可旋转键数：
  69.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  90.63
• 氢给体数：
  1.0
• 氢受体数：
  8.0

反应信息

• 作为反应物：
  描述：

  4-辛氧基苯甲醛 、 2-(6-(4-aminophenoxy)hexyloxy)-3,6,7,10,11-pentakis(dodecyloxy)triphenylene 在 溶剂黄146 作用下， 以 甲苯 为溶剂， 以71%的产率得到1-(4-octoxyphenyl)-N-[4-[6-(3,6,7,10,11-pentadodecoxytriphenylen-2-yl)oxyhexoxy]phenyl]methanimine
  参考文献：
  名称：

  Alignment of Palladium Complexes into Columnar Liquid Crystals Driven by Peripheral Triphenylene Substituents

  摘要：

  A new triphenylene-imine (ImH) and its ortho-palladated complexes (mu-X)(2)[Pd(2)Im(2)] (X = CH3COO-, Cl-, Br-), (mu-Cl)(mu-SCnH2n+1)[Pd(2)Im(2)] (n = 6, 12), [PdIm(acac)] [PdImCl(CNC6H4OC12H25)], [PdImCl(CNC6H3(OC12H25)(2))], and [PdImCl(CNC6H2(OC12H25)(3))] have been prepared. The free imine ligand is not a liquid crystal, but most ortho-metalated dinuclear palladium complexes and the mononuclear trialkoxyphenyl isocyanide derivative display columnar mesophases at temperatures close to ambient. For the dimeric complexes the mesophase obtained is always columnar rectangular (Col(r)), with an uncommon structure: the dimeric triphenylene-Pd complex-triphenylene molecules give rise to a triple-column stacking consisting of two columns of stacked triphenylene groups connected to a central column formed by stacking of two ortho-palladated dimeric moieties. For the trialkoxyphenyl isocyanide derivative a related polymer-like arrangement of columns alternating stacking of triphenylenes with stacking of two ortho-palladated dimeric moieties is found. The mesophase structure is columnar oblique (Col(ob)). The free imine and all palladium complexes exhibit fluorescence at room temperature in dichloromethane solution, associated with the triphenylene core.

  DOI：

  10.1021/ic402886t
• 作为产物：
  描述：

  2-(6-(4-acetylaminophenoxy)hexyloxy)-3,6,7,10,11-pentakis(dodecyloxy)triphenylene 在 potassium hydroxide 作用下， 以 乙醇 为溶剂， 反应 5.0h， 以78%的产率得到2-(6-(4-aminophenoxy)hexyloxy)-3,6,7,10,11-pentakis(dodecyloxy)triphenylene
  参考文献：
  名称：

  Alignment of Palladium Complexes into Columnar Liquid Crystals Driven by Peripheral Triphenylene Substituents

  摘要：

  A new triphenylene-imine (ImH) and its ortho-palladated complexes (mu-X)(2)[Pd(2)Im(2)] (X = CH3COO-, Cl-, Br-), (mu-Cl)(mu-SCnH2n+1)[Pd(2)Im(2)] (n = 6, 12), [PdIm(acac)] [PdImCl(CNC6H4OC12H25)], [PdImCl(CNC6H3(OC12H25)(2))], and [PdImCl(CNC6H2(OC12H25)(3))] have been prepared. The free imine ligand is not a liquid crystal, but most ortho-metalated dinuclear palladium complexes and the mononuclear trialkoxyphenyl isocyanide derivative display columnar mesophases at temperatures close to ambient. For the dimeric complexes the mesophase obtained is always columnar rectangular (Col(r)), with an uncommon structure: the dimeric triphenylene-Pd complex-triphenylene molecules give rise to a triple-column stacking consisting of two columns of stacked triphenylene groups connected to a central column formed by stacking of two ortho-palladated dimeric moieties. For the trialkoxyphenyl isocyanide derivative a related polymer-like arrangement of columns alternating stacking of triphenylenes with stacking of two ortho-palladated dimeric moieties is found. The mesophase structure is columnar oblique (Col(ob)). The free imine and all palladium complexes exhibit fluorescence at room temperature in dichloromethane solution, associated with the triphenylene core.

  DOI：

  10.1021/ic402886t