4-tert-butyl-(2-(5-trifluoromethyl)-2H-1,2,4-triazol-3-yl)pyridine | 949010-63-3

• 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: 4-tert-butyl-(2-(5-trifluoromethyl)-2H-1,2,4-triazol-3-yl)pyridine
• 英文别名: 3-(Trifluoromethyl)-5-(4-tert-butyl-2-pyridyl)-1H-1,2,4-triazole；4-tert-butyl-2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine
• CAS: 949010-63-3
• 化学式: C₁₂H₁₃F₃N₄
• 分子量: 270.257
• InChiKey: VRJFPWVYVHZDHH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  54.5
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  1-(4-fluorophenyl)-2,3-dihydro-3-methyl-1H-benzo[d]imidazole 、 4-tert-butyl-(2-(5-trifluoromethyl)-2H-1,2,4-triazol-3-yl)pyridine 、 三氯化铱 以 not given 为溶剂， 生成 [Ir(1-(4-fluorophenyl)-3-methyl-benzo[d]imidazolidinylidene(1-))2(4-tert-butyl-2-(5-(trifluoromethyl)-2H-1,2,4-triazol-3-yl)pyridine(1-))]
  参考文献：
  名称：

  高效发蓝光铱（III）卡宾配合物和磷光OLED。

  摘要：

  DOI：

  10.1002/anie.200800748

文献信息

• EMISSIVE TRANSITION-METAL COMPLEXES WITH BOTH CARBON-PHOSPHORUS ANCILLARY AND CHROMOPHORIC CHELATES, SYNTHETIC METHOD OF PREPARING THE SAME AND PHOSPHORESCENT ORGANIC LIGHT EMITTING DIODE THEREOF
  申请人：CHI Yun

  公开号：US20130005975A1

  公开（公告）日：2013-01-03

  The present invention provides a phosphorescent tris-chelated transition metal complex having one carbon-nitrogen (ĈN) or nitrogen-nitrogen (N̂N) chromophoric ligand forming a coordination sphere thereof with a transition metal, and two identical carbon-phosphorus (ĈP) chelates being incorporated into the coordination sphere, wherein the metal is iridium, platinum, osmium or ruthenium, and the chromophoric ligands possess a relatively lower energy gap in comparison with that of the non-chromophoric chelate, the latter afforded an effective barrier for inhibiting the ligand-to-ligand charge transfer process, so that bright phosphorescence can be observed. The architecture and energy gap of the present molecular designs are suitable for generation of high efficiency blue, green and even red emissions.
• US8557988B2
  申请人：——

  公开号：US8557988B2

  公开（公告）日：2013-10-15