3,5-双(4-溴苯基)-1-苯基-1,2,4-三唑 | 117594-19-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 3,5-双(4-溴苯基)-1-苯基-1,2,4-三唑
• 英文名称: 3,5-bis(4-bromophenyl)-1-phenyl-1H-1,2,4-triazole
• 英文别名: 3,5-Bis(4-bromophenyl)-1-phenyl-1,2,4-triazole
• CAS: 117594-19-1
• 化学式: C₂₀H₁₃Br₂N₃
• 分子量: 455.151
• InChiKey: HKDVNJUSVLHBGM-UHFFFAOYSA-N

物化性质

• 沸点：
  572.7±60.0 °C(Predicted)
• 密度：
  1.59±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.4
• 重原子数：
  25
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 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：

  苯乙烯 、 3,5-双(4-溴苯基)-1-苯基-1,2,4-三唑 在 palladium diacetate potassium carbonate 、 三苯基膦 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 24.0h， 以43%的产率得到1-phenyl-3,5-bis-[4-styryl-phenyl]-1H-[1,2,4]triazole
  参考文献：
  名称：

  WO2006/114377

  摘要：

  公开号：
• 作为产物：
  描述：

  4-溴苯甲醛苯腙 在 三乙烯二胺 、 copper(II) acetate monohydrate 作用下， 以 1,4-二氧六环 、 甲苯 为溶剂， 反应 32.0h， 生成 3,5-双(4-溴苯基)-1-苯基-1,2,4-三唑
  参考文献：
  名称：

  Copper(II)-Catalyzed Aerobic Oxidative Synthesis of Substituted 1,2,3- and 1,2,4-Triazoles from Bisarylhydrazones via C–H Functionalization/C–C/N–N/C–N Bonds Formation

  摘要：

  An unprecedented copper(II)-catalyzed aerobic oxidative synthesis of 2,4,5-triary1-1,2,3-triazoles and 1,3,5-triaryl-1,2,4-triazoles from bisarylhydrazones as the common starting precursor has been achieved via cascade C-H functionalization/C-C/N-N/C-N bonds formation under mild reaction conditions. One of the enthralling outcomes of this strategy is the copper(II)-catalyzed room temperature C-H functionalization/C-N bond formation in presence of air, which has been accomplished during the synthesis of substituted 1,2,4-triazoles. This new class of compounds could give prospective luminescence as an iconic component in the area of pharmaceutical and biological sciences. The intermediates for both the processes have been isolated to elucidate the mechanistic scenario.

  DOI：

  10.1021/jo300592t

文献信息

• Fluorescent organic light emitting elements having high efficiency
  申请人：BASF SE

  公开号：US10333078B2

  公开（公告）日：2019-06-25

  An organic light-emitting element which emits delayed fluorescence comprising specifically substituted 1,2,4-triazole derivatives, 1,2,4-oxadiazole derivatives or 1,2,4-thiadiazole derivatives in the light-emitting layer, a light-emitting layer comprising the specifically substituted 1,2,4-triazole derivatives, 1,2,4-oxadiazole derivatives or 1,2,4-thiadiazole derivatives, specific specifically substituted 1,2,4-triazole derivatives, 1,2,4-oxadiazole derivatives and 1,2,4-thiadiazole derivatives and an organic light emitting element comprising the specific 1,2,4-azole derivatives as well as a light emitting layer comprising the specific 1,2,4-azole derivatives; the use of the specifically substituted 1,2,4-triazole derivatives, 1,2,4-oxadiazole derivatives and 1,2,4-thiadiazole derivatives for electrophotographic photoreceptors, photoelectric converters, sensors, dye lasers, solar cell devices and organic light emitting elements, and the use of the specifically substituted 1,2,4-triazole derivatives, 1,2,4-oxadiazole derivatives and 1,2,4-thiadiazole derivatives for generating delayed fluorescence emission.

  具有延迟荧光发射的有机发光元件，包括在发光层中具体取代的1,2,4-三唑衍生物、1,2,4-噁二唑衍生物或1,2,4-噻二唑衍生物，以及包括具体取代的1,2,4-三唑衍生物、1,2,4-噁二唑衍生物或1,2,4-噻二唑衍生物的发光层，特定的具体取代的1,2,4-三唑衍生物、1,2,4-噁二唑衍生物和1,2,4-噻二唑衍生物以及包括特定的1,2,4-唑衍生物的有机发光元件，以及包括特定的1,2,4-唑衍生物的发光层；具体取代的1,2,4-三唑衍生物、1,2,4-噁二唑衍生物和1,2,4-噻二唑衍生物用于电子照相感光鼓、光电转换器、传感器、染料激光器、太阳能电池装置和有机发光元件，以及用于产生延迟荧光发射的具体取代的1,2,4-三唑衍生物、1,2,4-噁二唑衍生物和1,2,4-噻二唑衍生物的用途。
• Electroluminescent device
  申请人：Oka Hidetaka

  公开号：US20090066231A1

  公开（公告）日：2009-03-12

  The present invention relates to electroluminescent devices that comprise organic layers that contain triazole compounds of the formula (I), or formula (II). The compounds are suitable components of, for example, blue-emitting, durable, organo-electroluminescent layers. The electroluminescent devices may be employed for full color display panels in, for example, mobile phones, televisions and personal computer screens.

  本发明涉及包含式(I)或式(II)的三唑类化合物的有机层的电致发光装置。这些化合物是例如蓝色发光、耐久性好的有机电致发光层的合适组分。该电致发光装置可用于移动电话、电视和个人电脑屏幕等全彩色显示面板。
• Fluorescent Organic Light Emitting Elements Having High Efficiency
  申请人：BASF SE

  公开号：US20170309828A1

  公开（公告）日：2017-10-26

  An organic light-emitting element which emits delayed fluorescence comprising specifically substituted 1,2,4-triazole derivatives, 1,2,4-oxadiazole derivatives or 1,2,4-thiadiazole derivatives in the light-emitting layer, a light-emitting layer comprising the specifically substituted 1,2,4-triazole derivatives, 1,2,4-oxadiazole derivatives or 1,2,4-thiadiazole derivatives, specific specifically substituted 1,2,4-triazole derivatives, 1,2,4-oxadiazole derivatives and 1,2,4-thiadiazole derivatives and an organic light emitting element comprising the specific 1,2,4-azole derivatives as well as a light emitting layer comprising the specific 1,2,4-azole derivatives; the use of the specifically substituted 1,2,4-triazole derivatives, 1,2,4-oxadiazole derivatives and 1,2,4-thiadiazole derivatives for electrophotographic photoreceptors, photoelectric converters, sensors, dye lasers, solar cell devices and organic light emitting elements, and the use of the specifically substituted 1,2,4-triazole derivatives, 1,2,4-oxadiazole derivatives and 1,2,4-thiadiazole derivatives for generating delayed fluorescence emission.
• US9113536B2
  申请人：——

  公开号：US9113536B2

  公开（公告）日：2015-08-18
• [EN] FLUORESCENT ORGANIC LIGHT EMITTING ELEMENTS HAVING HIGH EFFICIENCY<br/>[FR] ÉLÉMENTS ÉLECTROLUMINESCENTS ORGANIQUES FLUORESCENTS PRÉSENTANT UNE EFFICACITÉ ÉLEVÉE
  申请人：BASF SE

  公开号：WO2016046350A1

  公开（公告）日：2016-03-31

  An organic light-emitting element which emits delayed fluorescence comprising specifically substituted 1,2,4-triazole derivatives, 1,2,4-oxadiazole derivatives or 1,2,4-thiadiazole derivatives in the light-emitting layer, a light-emitting layer comprising the specifically substituted 1,2,4-triazole derivatives, 1,2,4-oxadiazole derivatives or 1,2,4-thiadiazole derivatives, specific specifically substituted 1,2, 4-triazole derivatives, 1,2,4-oxadiazole derivatives and 1,2,4-thiadiazole derivatives and an organic light emitting element comprising the specific 1,2,4-azole derivatives as well as a light emitting layer comprising the specific 1,2,4-azole derivatives; the use of the specifically substituted 1,2,4-triazole derivatives, 1,2,4-oxadiazole derivatives and 1,2,4-thiadiazole derivatives for electrophotographic photoreceptors, photoelectric converters, sensors, dye lasers, solar cell devices and organic light emitting elements, and the use of the specifically substituted 1,2,4-triazole derivatives, 1,2,4-oxadiazole derivatives and 1,2,4-thiadiazole derivatives for generating delayed fluorescence emission.