2,6-bis(3-(p-tolyl)-1H-1,2,4-triazol-5-yl)pyridine | 1316856-68-4

• 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: 2,6-bis(3-(p-tolyl)-1H-1,2,4-triazol-5-yl)pyridine
• 英文别名: 2,6-bis[3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]pyridine
• CAS: 1316856-68-4
• 化学式: C₂₃H₁₉N₇
• 分子量: 393.451
• InChiKey: YVUCJYYCGLITDJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  30
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  96
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4-羟基吡啶 、 2,6-bis(3-(p-tolyl)-1H-1,2,4-triazol-5-yl)pyridine 、 cis-[Cl2Pt(S(O)Me2)2] 在 三乙胺 作用下， 以 乙二醇甲醚 、 水 为溶剂， 反应 85.0h， 以7%的产率得到
  参考文献：
  名称：

  具有中性发光Pt（ii）配合物的生物成像，显示出金属与金属之间的相互作用†

  摘要：

  在开发能够具有更好的发射量子产率，对光漂白的稳定性和长激发态寿命的新材料和小分子的尝试中，基于光学检测的分子生物成像面临着重要的挑战。实现这些特性的策略是使用基于金属络合物的三重态发射极，并保护它们免受双氧猝灭。我们报告了一种有趣的方法，该方法基于使用自组装铂化合物来获得稳定，高发射率和长寿命的物种。细胞内在化和定位实验表明，组装物对细胞隔室具有不同的选择性，该选择性是由与铂配位的三齿配体所决定的。还，

  DOI：

  10.1039/c4ra02351j
• 作为产物：
  描述：

  2,6-吡啶二甲腈 在 sodium carbonate 、 一水合肼 作用下， 以 乙醇 、 乙二醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 2.0h， 生成 2,6-bis(3-(p-tolyl)-1H-1,2,4-triazol-5-yl)pyridine
  参考文献：
  名称：

  Controlling Aggregation in Highly Emissive Pt(II) Complexes Bearing Tridentate Dianionic N^∧N^∧N Ligands. Synthesis, Photophysics, and Electroluminescence

  摘要：

  Neutral Pt(II) complexes bearing tridentate dianionic 2,6-bis(1H-1,2,4-triazol-5-yl)pyridine and ancillary alkyl-substituted pyridine ligands have been synthesized and characterized. They show bright green emission, reaching 73% photoluminescence quantum yield in deareated chloroform solution, which can be assigned to a predominantly metal-perturbed ligand-centered phosphorescence. We have followed two strategies to preserve the spectral purity of the monomeric species by varying the substituents on the chromophoric or on the ancillary ligands. However, variations in the substitution patterns only modestly affected the radiative and radiationless deactivation rate constants of the monomers. Photophysical and electrochemical properties have been measured for all the complexes and correlated with calculations using time-dependent density functional theory. The electroluminescence spectra of the brightest, nonaggregating derivative showed a better color purity than that of iridium(III) tris(phenylpyridine), thus proving that aggregation was hindered in a running electroluminescent device.

  DOI：

  10.1021/cm2010902

文献信息

• Platinum complexes
  申请人：Centre National de la Recherche Scientifique (CNRS)

  公开号：EP2873711A1

  公开（公告）日：2015-05-20

  The invention relates to the use of at least one luminescent platinum complex of formula (Z) as mechanochromic, and especially piezochromic compounds, wherein said platinum complex of formula (Z) is defined by wherein rings A, B and C are 5- or 6-members aromatic rings including atoms Xa, Xb and Xc which are linked to Platinum (Pt), wherein Xa, Xb and Xc are each independently a nitrogen atom or a carbon atom or a sulfur atom or an oxygen atom or a phosphorus atom; other members of rings A, B and C are carbon or nitrogen or sulfur or oxygen or phosphorus atoms; rings A and B are linked by a covalent bond, rings B and C are linked by a covalent bond, rings A, B and C optionally bearing one or more substituents Ra, Rb, and Rc, respectively, a is the number of substituents Ra, b is the number of substituents Rb, c is the number of substituents Rc; a, b, and c being independently 0 or from 1 to 4; Platinum ion is coordinated to a "Ligand" referred to as "L"; L is an organic ligand or an ion. The invention also relates to such novel compounds.

  本发明涉及至少一种式（Z）发光铂络合物作为机械变色，特别是压电变色化合物的用途，其中所述式（Z）铂络合物的定义为 其中，环 A、B 和 C 是 5 个或 6 个芳香环，包括与铂（Pt）相连的原子 Xa、Xb 和 Xc，其中 Xa、Xb 和 Xc 各自独立地为氮原子或碳原子或硫原子或氧原子或磷原子；环 A、B 和 C 的其他成员为碳原子或氮原子或硫原子或氧原子或磷原子；环 A 和环 B 通过共价键连接，环 B 和环 C 通过共价键连接，环 A、B 和 C 分别可选地带有一个或多个取代基 Ra、Rb 和 Rc，a 是取代基 Ra 的数目，b 是取代基 Rb 的数目，c 是取代基 Rc 的数目；a、b 和 c 独立地为 0 或 1 至 4；铂离子与称为 "L "的 "配体 "配位； L 是有机配体或离子。 本发明还涉及此类新型化合物。
• Bio-imaging with neutral luminescent Pt(<scp>ii</scp>) complexes showing metal⋯metal interactions
  作者：Dedy Septiadi、Alessandro Aliprandi、Matteo Mauro、Luisa De Cola

  DOI：10.1039/c4ra02351j

  日期：——

  emission quantum yield, stability toward photobleaching and long excited-state lifetime. A strategy to achieve these properties is to use triplet emitters based on metal complexes and to protect them from dioxygen quenching. We report on an interesting approach based on the use of self-assembled platinum compounds in order to obtain stable, highly emissive and long-lived species. Cell internalization and

  在开发能够具有更好的发射量子产率，对光漂白的稳定性和长激发态寿命的新材料和小分子的尝试中，基于光学检测的分子生物成像面临着重要的挑战。实现这些特性的策略是使用基于金属络合物的三重态发射极，并保护它们免受双氧猝灭。我们报告了一种有趣的方法，该方法基于使用自组装铂化合物来获得稳定，高发射率和长寿命的物种。细胞内在化和定位实验表明，组装物对细胞隔室具有不同的选择性，该选择性是由与铂配位的三齿配体所决定的。还，
• Controlling Aggregation in Highly Emissive Pt(II) Complexes Bearing Tridentate Dianionic N^∧N^∧N Ligands. Synthesis, Photophysics, and Electroluminescence
  作者：Mathias Mydlak、Matteo Mauro、Federico Polo、Michael Felicetti、Jens Leonhardt、Gerhard Diener、Luisa De Cola、Cristian A. Strassert

  DOI：10.1021/cm2010902

  日期：2011.8.23

  Neutral Pt(II) complexes bearing tridentate dianionic 2,6-bis(1H-1,2,4-triazol-5-yl)pyridine and ancillary alkyl-substituted pyridine ligands have been synthesized and characterized. They show bright green emission, reaching 73% photoluminescence quantum yield in deareated chloroform solution, which can be assigned to a predominantly metal-perturbed ligand-centered phosphorescence. We have followed two strategies to preserve the spectral purity of the monomeric species by varying the substituents on the chromophoric or on the ancillary ligands. However, variations in the substitution patterns only modestly affected the radiative and radiationless deactivation rate constants of the monomers. Photophysical and electrochemical properties have been measured for all the complexes and correlated with calculations using time-dependent density functional theory. The electroluminescence spectra of the brightest, nonaggregating derivative showed a better color purity than that of iridium(III) tris(phenylpyridine), thus proving that aggregation was hindered in a running electroluminescent device.