3,4,5-Tris-p-tolyl-1,2,4-triazol | 16112-12-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3,4,5-Tris-p-tolyl-1,2,4-triazol
• 英文别名: 3,4,5-tri-p-tolyl-4H-[1,2,4]triazole；3,4,5-Tris(4-methylphenyl)-1,2,4-triazole
• CAS: 16112-12-2
• 化学式: C₂₃H₂₁N₃
• 分子量: 339.44
• InChiKey: IIOIZEOXSYVLCC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  26
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.13
• 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：

  3,4,5-Tris-p-tolyl-1,2,4-triazol 以4%的产率得到
  参考文献：
  名称：

  LANGE J.; TONDYS H., POL. J. PHARMACOL. AND PHARM., 1975, 27, NO 2, 211-216

  摘要：

  DOI：
• 作为产物：
  描述：

  2,5-二(4-甲基苯基)-1,3,4-恶二唑 、 乙烷,三氯氟- 在 aluminum (III) chloride 作用下， 以 N-甲基吡咯烷酮 为溶剂， 反应 7.0h， 以91%的产率得到3,4,5-Tris-p-tolyl-1,2,4-triazol
  参考文献：
  名称：

  Chiriac, Constantin I.; Tanasa, Fulga; Nechifor, Marioara, Revue Roumaine de Chimie, 2010, vol. 55, # 3, p. 175 - 177

  摘要：

  DOI：

文献信息

• Hybrid Host Materials For Electrophosphorescent Devices
  申请人：Chen Shaw H.

  公开号：US20100184942A1

  公开（公告）日：2010-07-22

  Compounds (including polymers) for use in hybrid host materials which can be used in electroluminescent devices. The compounds comprise at least one electron-transporting moiety and at least one hole-transporting moiety which are joined by a flexible linker. Hybrid host materials comprising the compounds exhibit stability against phase separation, elevated glass transition temperature, morphological stability against crystallization, and isolation of the electron transporting moiety and hole transporting moiety π-systems.

  用于电致发光器件中的混合主体材料的化合物（包括聚合物）。这些化合物包括至少一个电子传输基团和至少一个空穴传输基团，它们通过柔性连接物连接在一起。包含这些化合物的混合主体材料表现出对相分离的稳定性，升高的玻璃转变温度，对结晶的形态稳定性，以及对电子传输基团和空穴传输基团π-体系的隔离。
• B(C₆F₅)₃-catalyzed dehydrogenative cyclization of <i>N</i>-tosylhydrazones and anilines <i>via</i> a Lewis adduct: a combined experimental and computational investigation
  作者：Murali Mohan Guru、Sriman De、Sayan Dutta、Debasis Koley、Biplab Maji

  DOI：10.1039/c9sc02492a

  日期：——

  dehydrogenative-cyclization of N-tosylhydrazones with aromatic amines has been disclosed. This metal-free catalytic protocol is compatible with a range of functional groups to provide both symmetrical and unsymmetrical 3,4,5-triaryl-1,2,4-triazoles. Mechanistic experiments and density functional theory (DFT) studies suggest an initial Lewis adduct formation of N-tosylhydrazone with B(C6F5)3 followed by

  已经公开了N-甲苯磺酰腙与芳族胺的三(五氟苯基)硼烷催化的脱氢环化。这种无金属催化方案与一系列官能团兼容，可提供对称和不对称的 3,4,5-三芳基-1,2,4-三唑。机理实验和密度泛函理论 (DFT) 研究表明，N-甲苯磺酰腙与 B(C6F5)3 最初形成路易斯加合物，随后硼烷加合物与苯胺进行连续分子间胺化、分子内环化和受阻路易斯对 (FLP) 催化脱氢用于生成取代的1,2,4-三唑。
• LANGE J.; TONDYS H., POL. J. PHARMACOL. PHARM., 1975, 27, NO 2, 211-216
  作者：LANGE J.、 TONDYS H.

  DOI：——

  日期：——
• A Sulfone Group-Containing Compound, An Organic Light Emitting Diode (OLED) Device Using The Same, and A Method of Fabricating the OLED Device
  申请人：Shenzhen China Star Optoelectronics Technology Co.,Ltd.

  公开号：US20150357584A1

  公开（公告）日：2015-12-10

  The present invention provides a sulfone group-containing compound, an organic light emitting diode (OLED) device using the sulfone group-containing compound, and a method of fabricating the OLED device. The sulfone group-containing compound has formula as wherein the bridging unit R is capable of connecting to three or more than three fluorene sulfur oxide units; and the unit R 1 , R 2 and R 3 respectively connected to the fluorene sulfur oxide units are selected from alkyl chains, aromatic groups or heterocyclic groups. According to the present invention, the sulfone group-containing compound connects to three or more than three fluorene sulfur oxide units with a bridging unit to form a novel star-shaped molecular structure. The sulfone groups-containing compound combines electron affinity and transport properties of the fluorene sulfur oxide units and spatial characteristics of the star-shaped molecular structure, so that efficiency and lifetime of an OLED device using the same can be enhanced.
• US9040718B2
  申请人：——

  公开号：US9040718B2

  公开（公告）日：2015-05-26