3-(3-bromophenyl)-5-(4-(tertbutyl)phenyl)-4-phenyl-4H-1,2,4-triazole | 911304-22-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3-(3-bromophenyl)-5-(4-(tertbutyl)phenyl)-4-phenyl-4H-1,2,4-triazole
• 英文别名: 1-phenyl-2-(4-tert-butylphenyl)-5-(3-bromophenyl)-1,3,4-triazole；3-(3-Bromophenyl)-5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazole；3-(3-bromophenyl)-5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazole
• CAS: 911304-22-8
• 化学式: C₂₄H₂₂BrN₃
• 分子量: 432.363
• InChiKey: RWYRDRBZSSQPSW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.8
• 重原子数：
  28
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  30.7
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-(3-bromophenyl)-5-(4-(tertbutyl)phenyl)-4-phenyl-4H-1,2,4-triazole 在 palladium diacetate 碘 、 silver trifluoroacetate 、 potassium carbonate 、 三(邻甲基苯基)磷 作用下， 以 甲醇 、 氯仿 、 甲苯 为溶剂， 生成 1-phenyl-2-(4-tert-butylphenyl)-5-{3-[9',9',9'',9''-tetra-n-butyl-7''-diphenylamino-2',7'-bifluorenyl]phenyl}-1,3,4-triazole
  参考文献：
  名称：

  Synthesis and Light-Emitting Properties of Bipolar Oligofluorenes Containing Triarylamine and 1,2,4-Triazole Moieties

  摘要：

  A facile approach for synthesis of bipolar oligofluorenes, TAZ-OF(n)-NPh, n) 2 or 3 end-capped with hole-transporting diphenylamino and electron-transporting triazole moieties by Suzuki cross-coupling as the key reaction has been developed. This novel bipolar oligofluorenes exhibited blue-emission, high thermal and morphological stabilities. The single-layer OLED based on TAZ-OF(2)-NPh exhibited superior device performance with a maximum luminance of 1128 cd m(-2) and luminance efficiency of up to 0.83 cd A(-1).

  DOI：

  10.1021/ol0615477
• 作为产物：
  描述：

  3-溴苯甲酰氯 在 三乙胺 、 三氯氧磷 作用下， 以 氯仿 、 邻二氯苯 为溶剂， 反应 2.0h， 生成 3-(3-bromophenyl)-5-(4-(tertbutyl)phenyl)-4-phenyl-4H-1,2,4-triazole
  参考文献：
  名称：

  Synthesis and Light-Emitting Properties of Bipolar Oligofluorenes Containing Triarylamine and 1,2,4-Triazole Moieties

  摘要：

  A facile approach for synthesis of bipolar oligofluorenes, TAZ-OF(n)-NPh, n) 2 or 3 end-capped with hole-transporting diphenylamino and electron-transporting triazole moieties by Suzuki cross-coupling as the key reaction has been developed. This novel bipolar oligofluorenes exhibited blue-emission, high thermal and morphological stabilities. The single-layer OLED based on TAZ-OF(2)-NPh exhibited superior device performance with a maximum luminance of 1128 cd m(-2) and luminance efficiency of up to 0.83 cd A(-1).

  DOI：

  10.1021/ol0615477

文献信息

• Bis(trimethylsilyl)phenyl-bridged D-A molecules: Synthesis, spectroscopic properties and for achieving deep-blue emitting materials
  作者：Ziqiu Shen、Xiangyu Zhu、Weiguo Tang、Yu Zheng、Zhikuan Zhou、Xin Jiang Feng、Zujin Zhao、Hua Lu

  DOI：10.1016/j.dyepig.2019.108063

  日期：2020.3

  π-conjugated molecules display weak fluorescence with a long wavelength due to effective intramolecular charge transfer. In this paper, a series of donor-π-acceptor (D-π-A) molecules, incorporated with bis(trimethylsilyl)phenyl as a bridging group to twist molecular structure, were synthesized by Suzuki cross-coupling using diphenylamino and oxadiazole/triazole as electron-donating group and electron-withdrawing

  通常，由于有效的分子内电荷转移，供体（D）-受体（A）π共轭分子显示出长波长的弱荧光。在本文中，一个系列的供体- π端受体（D- π -A）分子，与双（三甲基硅烷基）苯基作为桥连基团并入到扭曲的分子结构，通过使用二苯基氨基Suzuki交叉偶联合成和恶二唑/三唑作为给电子基团和吸电子基团。所得分子在固态深蓝色区域表现出高的热稳定性和强荧光。p -DSiTO的聚集诱导的发射增强（AIEE）观察到由于抑制了聚集状态下的分子振动和旋转。此外，局部激发（LE）发射显着增加，以显示处于聚集状态的混合局部和电荷转移（HLCT）发射。为了理解这些分子的光学和电化学性质，进行了理论计算和电化学测量。使用p -DSiTO作为发射极制造的非掺杂有机发光二极管（OLED）显示深蓝色发射，CIE x，y（国际照明委员会）为（0.160，0.105）。