3,5,6-三-2-吡啶基-1,2,4-三嗪 | 1046-57-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 三嗪类
• 中文名称: 3,5,6-三-2-吡啶基-1,2,4-三嗪
• 英文名称: tris-3,5,6-(2′-pyridyl)-1,2,4-triazine
• 英文别名: 3,5,6-tris-(2-pyridinyl)-1,2,4-triazine；3,5,6-tris(2-pyridyl)-1,2,4-triazine；3,5,6-tri(2-pyridyl)-1,2,4-triazine；3,5,6-tri-pyridin-2-yl-[1,2,4]triazine；3,5,6-tripyridin-2-yl-1,2,4-triazine
• CAS: 1046-57-7
• 化学式: C₁₈H₁₂N₆
• 分子量: 312.333
• InChiKey: JGMBVEZRZJNYAG-UHFFFAOYSA-N

物化性质

• 熔点：
  186 °C
• 溶解度：
  >46.8 [ug/mL]

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  24
• 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：
  77.3
• 氢给体数：
  0
• 氢受体数：
  6

安全信息

• 海关编码：
  2933990090

反应信息

• 作为反应物：
  描述：

  2,5-降冰片二烯 、 3,5,6-三-2-吡啶基-1,2,4-三嗪 以 various solvent(s) 为溶剂， 反应 72.0h， 以45%的产率得到2,3,6-Tripyridin-2-ylpyridine
  参考文献：
  名称：

  一种新的简单的“乐高”系统，用于合成支链寡吡啶

  摘要：

  羧酰胺dra 1与1,2-二羰基化合物2的缩合是合成烷基，芳基或杂芳基取代的1,2,4-三嗪3-7的最佳方法。通过与双环[2.2.1]庚-2,5-二烯进行[4 + 2]环加成，然后进行氮和环戊二烯的[4 + 2]环还原，可以轻松地将这些1,2,4-三嗪转化为吡啶8-12。该反应序列为分支的寡吡啶提供了新的，简单的通用途径。

  DOI：

  10.1016/s0040-4039(98)01438-5
• 作为产物：
  描述：

  吡咯酮 在 硝酸 作用下， 以 乙醇 为溶剂， 反应 4.0h， 生成 3,5,6-三-2-吡啶基-1,2,4-三嗪
  参考文献：
  名称：

  双齿和潜在环金属化 5-Aryl-3-(2'-pyridyl)-1,2,4-triazine 配体的钯 (II) 配合物

  摘要：

  正在研究的 5-芳基-3-(2'-吡啶基)-1,2,4-三嗪配体 [5-苯基-(PyTZPh) L1; 5-(3-甲氧基苯基)-(PyTZ3MeOPh)L2；5-(4-甲氧基苯基)-(PyTZ4MeOPh)L3；5-(4-三氟甲基苯基)-(PyTZ4CF3Ph)L4；5-(4-氟苯基)-(PyTZ4FPh)L5；和三-3,5,6-(2'-吡啶基)-1,2,4-三嗪 (Py3TZ) L6] 与 [(COD)PdCl2] (COD = 1,5-环辛二烯) 反应形成复合物 [( L1–6)PdCl2] 与 N,N 双齿结合配体，也包括潜在的 N,N,N 三齿配体 L6。这是通过对新配合物的深入核磁共振光谱研究以及与 Pd-terpy 配合物 [(R'terpy)PdCl]Cl [R'terpy = 4'-R'-2,2':6' ,2''-三联吡啶；R' = H 或 SMe]，显示出明确的三齿 N,N

  DOI：

  10.1002/ejic.201601530

文献信息

• Synthesis and structural characterization of new dinuclear silver(I) complexes: Different coordination modes of substituted 1,2,4-triazine ligands
  作者：Farzin Marandi、Nayyereh Hosseini、Harald Krautscheid、Daniel Lässig、Jörg Lincke、Mohammad Rafiee、Yousef Abdossalami Asl

  DOI：10.1016/j.molstruc.2011.09.027

  日期：2011.12

  binuclear silver(I) complexes of 3-(2-pyridyl)-5,6-diphenyl-1,2,4-triazine (PDT) and 3,5,6-tris(2-pyridyl)-1,2,4-triazine (TPT) ligands, [Ag2(PDT)2(NO3)2], 1, and [Ag2(TPT)2(NO3)2], 2, have been synthesized and characterized by elemental analysis, IR and 1H NMR spectroscopy, and also studied by thermal and electrochemical analysis as well as by X-ray crystallography. The individual dinuclear complexes in

  摘要 3-(2-吡啶基)-5,6-二苯基-1,2,4-三嗪 (PDT) 和 3,5,6-三(2-吡啶基)-1 的两种新型双核银 (I) 配合物，已合成 2,4-三嗪 (TPT) 配体 [Ag2(PDT)2(NO3)2], 1 和 [Ag2(TPT)2(NO3)2], 2，并通过元素分析、IR 和1H NMR 光谱，还通过热和电化学分析以及 X 射线晶体学进行研究。1中的单个双核配合物通过弱的Ag···CPDT(η3)相互作用扩展为一维层状结构。Ag(I) 配合物的有趣特征是配体的不同配位模式。这些复合物中的超分子特征由弱定向的分子内和分子间相互作用控制。
• Rhenium compounds
  申请人：Christou Victor

  公开号：US20060076537A1

  公开（公告）日：2006-04-13

  An organic electroluminescent device is described which comprises a compound having a skeleton of the formula: which skeleton can comprise one or more additional aromatic rings, wherein each of Z and Z′, which may be the same or different, represents a nitrogen-containing aromatic ring such that the Z and Z′ rings either together form a conjugated system, optionally with one or more additional aromatic rings, or at least one of Z and Z′ form a conjugated system with one or more additional aromatic rings to which Z and Z′ is attached, with the proviso that, (a) when the two said rings are pyridyl rings and are connected to one another ortho to the nitrogen atoms then (i) at least one said ring is substituted by at least one electron withdrawing substituent which is a hydrocarbon aryl group or (ii) at least one said ring is fused to another aromatic ring to which the other pyridyl ring is not fused or (iii) the two said rings together form a phenanthroline ring system which is substituted by at least one electron withdrawing substituent which is in the 2, 4, 5, 6, 7 or 9 position, or (b) the two said rings are such that either (i) at least one of them contains at least one further nitrogen atom or (ii) they are fused to another aromatic ring which contains at least one nitrogen atom, and X represents an anionic or neutral coligand.

  描述了一种有机电致发光器件，其包括具有以下式骨架的化合物：该骨架可以包括一个或多个附加芳香环，其中Z和Z'可以相同也可以不同，分别代表含氮芳香环，使得Z和Z'环要么一起与一个或多个附加芳香环形成共轭系统，要么至少一个Z和Z'与一个或多个附加芳香环形成共轭系统，其中Z和Z'连接在附加芳香环上，条件是，(a) 当两个环为吡啶环并且连接在氮原子的邻位时，(i) 至少一个环被至少一个电子提取基取代，该电子提取基是一个烃基芳香基团，或者(ii) 至少一个环与另一个不与另一个吡啶环融合的芳香环融合，或者(iii) 两个环一起形成一个苯并三氮杂环系统，该系统被至少一个电子提取基取代，该电子提取基在2,4,5,6,7或9位，或者(b) 两个环要么至少有一个含有至少一个进一步的氮原子，要么它们与至少一个含有至少一个氮原子的芳香环融合，X代表一个阴离子或中性配体。
• Synthesis and characterization of [ReCl(CO)3(L)] [L = 5,6-diphenyl-3-(2-pyridyl)-1,2,4-triazine (dppt) or 3,5,6-tri(2-pyridyl)-1,2,4-triazine (tpt)] and the bidentate coordination of the metalloligand [ReCl(CO)3(tpt)] to [M(hfac)2] (M = Mn, Fe, Co, Ni, Cu, Zn; hfac = hexafluoroacetylacetonate ion)_
  作者：J. Granifo

  DOI：10.1016/0277-5387(95)00263-r

  日期：1996.1

  The synthesis and characterization of the novel mononuclear species [ReCl(CO)(3)(L)], where L is 5,6-diphenyl-3-(2-pyridyl)-1,2,4-triazine (dppt) or 3,5,6-tri(2-pyridyl)-1,2,4-triazine (tpt), is reported. The coordination mode of the dppt and tpt ligands to the ReCl(CO)(3) fragment apparently occurs through a pyridyl nitrogen and a triazine nitrogen. In addition, the tpt based monomer [ReCl(CO)(3)(tpt)] behaves as a bidentate metalloligand, reacting with the [M(hfac)(2)] (M = Mn, Fe, Co, Ni, Cu, Zn; hfac = hexafluoroacetylacetonate ion) complexes to produce the heterobimetallic substances [(CO)(3)ClRe(tpt)M(hfac)(2)]. In these Re-tpt-M complexes the tpt-M binding is atypical, since only the two free pyridyl nitrogen atoms of the chelating [ReCl(CO)(3)(tpt)] complex are involved. The new compounds were characterized by IR, H-1 NMR and electronic spectroscopy, electrochemical and magnetic moment measurements.
• Gmelin Handbuch der Anorganischen Chemie, Gmelin Handbook: Ni: MVol.C1, 209, page 473 - 475
  作者：

  DOI：——

  日期：——
• Synthesis and crystal structures of the first cadmium complexes of 3,5,6-tris(2-pyridyl)-1,2,4-triazine ligand
  作者：Farzin Marandi、Mona Jangholi、Mohammad Hakimi、Hadi Amiri Rudbari、Giuseppe Bruno

  DOI：10.1016/j.molstruc.2012.09.070

  日期：2013.3

  Three new cadmium(II) complexes, [Cd-2(TPT)(2)(SCN)(4)]center dot H2O (1), [Cd(TPT)I-2] (2) and [Cd(TPT)Br-2] (3) ("TPT" is the abbreviation of 3,5,6-tris(2-pyridyl)-1,2,4-triazine), have been synthesized and characterized by elemental analysis, IR, H-1 NMR spectroscopy, and studied by thermal gravimetric as well as X-ray single crystal diffraction. Two anions of four thiocyanate anions bridge two Cd-II ions to form a dinuclear complex, I, and iodide and bromide ions produce two halide-coordinated [Cd(TPT)X-2] complexes (X = I for 2 and Br for 3). Cadmium(II) in 1 is six coordinate, CdN4S2 and in 2 and 3 is five coordinate, CdN3I2 and CdN3Br2. The supramolecular features in these complexes are guided/controlled by N center dot center dot center dot O hydrogen bonding (in 1) and weak directional intermolecular C-H center dot center dot center dot N, Cg center dot center dot center dot I, C-H center dot center dot center dot Br and pi-pi interactions. (c) 2012 Elsevier B.V. All rights reserved.