2-(5-(2,6-difluorophenyl)-2H-1,2,4-triazol-3-yl)pyridine | 1001635-68-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 2-(5-(2,6-difluorophenyl)-2H-1,2,4-triazol-3-yl)pyridine
• 英文别名: 2-[3-(2,6-difluorophenyl)-1H-1,2,4-triazol-5-yl]pyridine
• CAS: 1001635-68-2
• 化学式: C₁₃H₈F₂N₄
• 分子量: 258.23
• InChiKey: SOCZSYRRSCUMQJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  54.5
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  tetrakis(actonitrile)copper(I) hexafluorophosphate 、 2-(5-(2,6-difluorophenyl)-2H-1,2,4-triazol-3-yl)pyridine 、 双(2-二苯基磷苯基)醚 以 四氢呋喃 为溶剂， 反应 5.0h， 以71%的产率得到
  参考文献：
  名称：

  中性单核铜（I）配合物：合成，晶体结构和光物理性质

  摘要：

  具有通式POPCu（NN）的中性绿色发射四坐标Cu（I）配合物，其中POP =双[2-（二苯基膦基）苯基]醚，NN =取代的2-吡啶-1,2,4-三唑配体，被合成。（POPCuMeCN）+（PF 6）-（1），POPCuPhPtp（2a，PhPtp = 2-（5-苯基-2 H- [1,2,4]三唑-3-基）-吡啶）的晶体结构，和POPCu（3,5-2FPhPtp）（2d，3,5-2FPhPtp = 2-（5-（3,5-二氟苯基）-2 H通过单晶X射线衍射分析来确定-（1,2,4-三唑-3-基）吡啶）。通过紫外可见光谱，稳态光谱和时间分辨光谱法检查了配合物的电子和光物理性质。在室温下，在溶液中观察到微弱的发射，而在固态时，所有配合物均显示出强烈的绿色发射，量子产率高达0.54。电子和光物理性质进一步得到在（随时间变化）密度泛函理论水平上进行的计算的支持。还测试了一种配合物作为电致发光器件中的掺杂剂。

  DOI：

  10.1021/acs.inorgchem.6b00101

文献信息

• Blue-Emitting Iridium Complexes with Substituted 1,2,4-Triazole Ligands:  Synthesis, Photophysics, and Devices
  作者：Enrico Orselli、Gregg S. Kottas、Asgeir E. Konradsson、Paolo Coppo、Roland Fröhlich、Luisa De Cola、Addy van Dijken、Michael Büchel、Herbert Börner

  DOI：10.1021/ic701110p

  日期：2007.12.1

  Neutral heteroleptic mononuclear iridium(III) complexes with (2,4-difluoro)phenylpyridine and different pyridine1,2,4-triazole ligands were synthesized and fully characterized. We investigated the effects of substituents in the 5-position of the triazole ring on the photophysical and electrochemical behavior. Increasing the electron-withdrawing capabilities generally leads to a lowering of the HOMO level with a consequent slight widening of the HOMO-LUMO gap and a blue shift in emission. The complexes reported exhibit high emission quantum yields and long luminescent lifetimes, typical of iridium(III) complexes, and most of them show reversible redox processes in solution. Also, many of the complexes reported here have been obtained as single crystals suitable for X-ray crystallography. Two of the complexes were further tested as phosphorescent dyes in OLED devices and showed high external quantum efficiencies (similar to 7%) and color points better than the "standard" for blue iridium(III) bis[(4,6-difluorophenyl)pyridinato-N,C(2')]picolinate (FIrpic). We also report the full electrochemical investigation of Flrpic in different solvents.
• LIGHT EMITTING CU(I) COMPLEXES
  申请人：UDC Ireland Limited

  公开号：EP2170911B1

  公开（公告）日：2018-11-28
• Light emission material and organic electroluminescent device using the same
  申请人：Wu Pei-Chi

  公开号：US20060286404A1

  公开（公告）日：2006-12-21

  An organic electroluminescent device including a substrate, an anode, a cathode, a hole transport layer, an electron transport layer and an emission layer is provided. The anode and the cathode are disposed on the substrate. The hole transport layer is disposed between the anode and the cathode. The electron transport layer is disposed between the hole transport layer and the cathode. The emission layer is disposed between the hole transport layer and the electron transport layer. The chemical structure of the dopant is represented by formula [I]: “M” represents a metal atom, m is smaller than or equal to the ligand number of “M”, n is smaller than m. “Y1” is selected from aryl or heteroaryl. “Y2” and “Y3” are respectively selected from nitro-containing heterocyclic ring. “X”, “R1”, “R2” and “R3” are respectively selected from any substituent group or hydrogen. “A” is selected from aryl, heteroaryl or nitro-containing heterocyclic group.
• LIGHT EMITTING CU (I) COMPLEXES
  申请人：De Cola Luisa

  公开号：US20100252820A1

  公开（公告）日：2010-10-07

  Electroneutral metal complexes of the formula L Cu A, wherein L stands for an, especially bidentate, neutral ligand and A stands for an, especially bidentate, monoanionic ligand binding to Cu by at least one heteroatom selected from N, P, S; or wherein the ligands L and A with the above features are interconnected by at least one chemical bond to form one common tetradentate ligand; or protonated or alkylated forms or salts thereof show good light emitting efficiency in electroluminescent applications.
• US7662486B2
  申请人：——

  公开号：US7662486B2

  公开（公告）日：2010-02-16