3,3'-bis(4-formylphenyl)bimesityl | 1225514-66-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3,3'-bis(4-formylphenyl)bimesityl
• 英文别名: 4-[3-[3-(4-Formylphenyl)-2,4,6-trimethylphenyl]-2,4,6-trimethylphenyl]benzaldehyde
• CAS: 1225514-66-8
• 化学式: C₃₂H₃₀O₂
• 分子量: 446.589
• InChiKey: KCQXGWYORFBRPQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.9
• 重原子数：
  34
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  34.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3,3'-bis(4-formylphenyl)bimesityl 在 吡啶 、 Oxone 、 氯化亚砜 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 9.0h， 生成 2-[4-(2,4,6-Trimethylphenyl)phenyl]-5-[4-[2,4,6-trimethyl-3-[2,4,6-trimethyl-3-[4-[5-[4-(2,4,6-trimethylphenyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]phenyl]phenyl]phenyl]-1,3,4-oxadiazole
  参考文献：
  名称：

  Twisted bimesitylene-based oxadiazoles as novel host materials for phosphorescent OLEDs

  摘要：

  The D-2d-symmetric bimesitylene core has been exploited for designing novel host materials required in the construction of phosphorescence-based organic light emitting devices. The oxadiazole-functionalized twisted bimesitylenes are found to exhibit high band gap (triplet energies), and excellent glass transition temperatures and thermal stabilities for ready exploitation as host materials. The electron-transporting ability and respectable luminance efficiencies with triplet dopants (up to 19.0 cd/A) allow oxadiazole-functionalized bimesitylenes as promising materials for phosphorescence-based light emitting devices, namely PHOLEDs. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2012.05.101
• 作为产物：
  描述：

  rac-3,3'-diiodbimesityl 、 4-甲酰基苯硼酸 在 四(三苯基膦)钯 、 potassium carbonate 作用下， 以 四氢呋喃 、 甲苯 为溶剂， 反应 18.0h， 以97%的产率得到3,3'-bis(4-formylphenyl)bimesityl
  参考文献：
  名称：

  Nondoped Pure-Blue OLEDs Based on Amorphous Phenylenevinylene-Functionalized Twisted Bimesitylenes

  摘要：

  The twisted bimesitylene scaffold hinders crystallization and imparts amorphous nature to the oligophenylenevinylenes (OPVs) generated by 2- and/or 4-fold functionalization. The resultant phenylenevinylenes 1-5 with unique molecular topology exhibit excellent thermal and solid-state luminescence properties. The amorphous nature permits their application as pure-blue emissive materials in OLEDs. Under nondoped conditions, the device performances observed surpass those for analogous and simple oligophenylenevinylenes known so far; for example, the device based on OPV 2 as an emitting material and structurally analogous Bim-DPAB as a hole-transporting material yields pure-blue electroluminescence with an external quantum efficiency of ca. 4.70% at 20 mA/cm(2), which is higher than those reported for nondoped pure-blue OPV emitters.

  DOI：

  10.1021/jo1001565