| 1384942-95-3

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二芳基庚烷
• CAS: 1384942-95-3
• 化学式: C₃₂H₁₇BrO₂
• 分子量: 513.39
• InChiKey: HVOBUQSCYQITSU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.79
• 重原子数：
  35.0
• 可旋转键数：
  3.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  34.14
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  、 4-戊基苯乙炔 在 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 、 三乙胺 、 三苯基膦 作用下， 以 四氢呋喃 为溶剂， 反应 10.33h， 以62%的产率得到4-((4-(8-((4-pentylphenyl)ethynyl)pyrene-1-carbonyl)phenyl)ethynyl)benzaldehyde
  参考文献：
  名称：

  Photophysical and self-assembly properties of asymmetrical multi-aralkyl and arylaldehyde substituted pyrene derivatives

  摘要：

  A series of novel asymmetrical pyrene derivatives with aralkyl and aldehyde groups have been successfully synthesized, and their spectroscopic parameters were investigated detailedly. The effects of aralkyl substituent amounts on the electronic absorption and emission spectra have been explored in evaluation of their potential as optical materials components. Moreover, the electrochemical properties of the new pyrene derivatives have been studied for the molecules' HOMO and LUMO levels by cyclic voltammograms. In particular, titration of anhydrous ethanol into dilute CH2Cl2 solution of above compounds, an unusual change of the fluorescence value was observed. The change is believed to correlate strongly to intermolecular charge transfer. The morphological evolution of self-assembled pyrene derivatives with (arylethynyl)aldehyde substituents, from tamen-distinct-like morphologies to vesicular textures, was obtained by increasing aralkyl-substituted fragments. These asymmetrical discotic compounds represent an interesting set of candidates for optoelectronic device components. (c) 2012 Published by Elsevier Ltd.

  DOI：

  10.1016/j.tet.2012.04.089
• 作为产物：
  描述：

  4-三甲基硅乙炔基苯甲醛 在 甲醇 、 bis-triphenylphosphine-palladium(II) chloride 、 copper(l) iodide 、 potassium carbonate 、 三乙胺 作用下， 以 四氢呋喃 为溶剂， 生成
  参考文献：
  名称：

  Photophysical and self-assembly properties of asymmetrical multi-aralkyl and arylaldehyde substituted pyrene derivatives

  摘要：

  A series of novel asymmetrical pyrene derivatives with aralkyl and aldehyde groups have been successfully synthesized, and their spectroscopic parameters were investigated detailedly. The effects of aralkyl substituent amounts on the electronic absorption and emission spectra have been explored in evaluation of their potential as optical materials components. Moreover, the electrochemical properties of the new pyrene derivatives have been studied for the molecules' HOMO and LUMO levels by cyclic voltammograms. In particular, titration of anhydrous ethanol into dilute CH2Cl2 solution of above compounds, an unusual change of the fluorescence value was observed. The change is believed to correlate strongly to intermolecular charge transfer. The morphological evolution of self-assembled pyrene derivatives with (arylethynyl)aldehyde substituents, from tamen-distinct-like morphologies to vesicular textures, was obtained by increasing aralkyl-substituted fragments. These asymmetrical discotic compounds represent an interesting set of candidates for optoelectronic device components. (c) 2012 Published by Elsevier Ltd.

  DOI：

  10.1016/j.tet.2012.04.089