5-(5-Bromo-2-hexyloxy-phenyl)-3-(4-bromo-phenyl)-1-phenyl-4,5-dihydro-1H-pyrazole | 680992-20-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 5-(5-Bromo-2-hexyloxy-phenyl)-3-(4-bromo-phenyl)-1-phenyl-4,5-dihydro-1H-pyrazole
• 英文别名: 3-(5-Bromo-2-hexoxyphenyl)-5-(4-bromophenyl)-2-phenyl-3,4-dihydropyrazole；3-(5-bromo-2-hexoxyphenyl)-5-(4-bromophenyl)-2-phenyl-3,4-dihydropyrazole
• CAS: 680992-20-5
• 化学式: C₂₇H₂₈Br₂N₂O
• 分子量: 556.34
• InChiKey: WEHGGKIYUSZXNS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.7
• 重原子数：
  32
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  24.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2-hexyloxy-5-bromobenzaldehyde 在 sodium hydroxide 作用下， 以 乙二醇乙醚 、 乙醇 为溶剂， 反应 5.0h， 生成 5-(5-Bromo-2-hexyloxy-phenyl)-3-(4-bromo-phenyl)-1-phenyl-4,5-dihydro-1H-pyrazole
  参考文献：
  名称：

  Novel efficient green electroluminescent conjugated polymers based on fluorene and triarylpyrazoline for light-emitting diodes

  摘要：

  A series of novel light-emitting conjugated polymers based on fluorene and triarylpyrazoline were synthesized in good yields through Suzuki coupling reactions. The resulting polymers were characterized by NMR, FT-IR, elemental analysis, DSC, TGA and GPC. These polymers possess excellent thermal stability with glass transition temperatures (T-g) of 80 - 162 degreesC and onset decomposition temperatures (T-d) of 376 - 387 degreesC. Cyclic voltammetry studies revealed that these polymers have good hole and electron transporting properties with LUMO energy levels of -2.97 to -2.98 eV and HOMO energy levels of -5.71 to -5.81 eV. All the polymers emit green fluorescence with very high photoluminescence (PL) quantum yields of 45 - 59%. Polymer light-emitting diodes (PLEDs) with the configuration ITO/PEDOT/polymer/Ba/Al were fabricated. All these devices showed bright green emission peaking at 494 - 500 nm with high maximum external quantum efficiencies of 0.6 - 2.53% and low turn-on bias voltages. The good light-emitting properties indicate that these polymers are new and promising candidates for electroluminescent materials that can be used to fabricate efficient polymer light-emitting diodes.

  DOI：

  10.1039/b313160b