4-(pyridin-3-yl)-4H-1,2,4-triazole | 25700-20-3

• 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-(pyridin-3-yl)-4H-1,2,4-triazole
• 英文别名: 4-(3-pyridinyl)-1,2,4-triazole；4-(pyrid-3-yl)-1,2,4-triazole；3-[1,2,4]triazol-4-yl-pyridine；3-[1,2,4]Triazol-4-yl-pyridin；4-β-Pyridyl-1,2,4-triazol；4-(Pyridin-3-yl)-1,2,4-triazole；3-(1,2,4-triazol-4-yl)pyridine
• CAS: 25700-20-3
• 化学式: C₇H₆N₄
• 分子量: 146.151
• InChiKey: FGMCDLAVUAMIPS-UHFFFAOYSA-N

物化性质

• 熔点：
  162 °C
• 沸点：
  333.1±44.0 °C(Predicted)
• 密度：
  1.29±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  43.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-(pyridin-3-yl)-4H-1,2,4-triazole 、 silver trifluoromethanesulfonate 以 乙腈 为溶剂， 反应 0.33h， 以49%的产率得到{[Ag2(4-(3-pyridinyl)-1,2,4-triazole)2(CF3SO3)2]*0.5H2O}n
  参考文献：
  名称：

  Syntheses, crystal structures and luminescent properties of anion-tuned triazolate–silver(I) complexes

  摘要：

  The self-assembly of silver(I) salts (AgAsF6, AgCF3CO2) with the bitopic triazole ligand 4-(2-pyridinyl)-1,2,4-triazole (L-1) produced two dinuclear complexes [Ag(L-1)(2)(AsF6)(2)center dot 3H(2)O (1) and (Ag(L-1) (CF3CO2)(H2O)](2) (2). While the reaction of the tritopic ligand 4-(3-pyridinyl)-1,2,4-triazole (L-2) with AgCF3SO3 and AgCH3CO2 afforded the two-dimensional meso {[Ag-2(L-2)(2)(CF3SO3)(2)]center dot 0.5H(2)O}(n) (3) and, containing alternative left- and right-handed helical chains and an infinite two-dimensional architecture, {[Ag(L-2)](CH3CO2)center dot 0.75H(2)O}(n) (4) with 4.8(2) topology. Structural analyses indicate that the increase of coordination number (from 2 to 3) of the ligand is an effective route to obtain high-dimensional structures (from zero- to two-dimensional). Moreover, the anions not only play an important role in the outcome of the resulting supramolecular array, but also greatly influence the configurations of the ligands to tune the coordination network topology. Both in the solid state and in aqueous solution, all four complexes exhibit strong fluorescent emission bands, which may be assigned to intra-ligand fluorescent emissions. Crown Copyright (C) 2012 Published by Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2012.07.012
• 作为产物：
  描述：

  3-氨基吡啶 、 N,N-dimethylformamide azine dihydrochloride 以 苯 为溶剂， 反应 6.0h， 以40%的产率得到4-(pyridin-3-yl)-4H-1,2,4-triazole
  参考文献：
  名称：

  N-和 N,N'-连接 1,2,4-三唑的简化方法

  摘要：

  报道了一种简便的一步法制备 4,4'-双-1,2,4-三唑。N,N-二甲基甲酰胺吖嗪二盐酸盐通过在回流苯中与 4-氨基-1,2,4-三唑一起加热直接转氨，很容易在短时间内以显着的收率 (73%) 产生目标分子。这种无催化剂方法扩展到合成一系列在配位化学中具有潜在意义的 4-取代 1,2,4-三唑。

  DOI：

  10.1055/s-2007-983896

文献信息

• Tuned Triazolatesilver(I) Luminescent Complexes from Zero- to Three-Dimensionality Based on Bi- to Tetratopic Bridged Ligands
  作者：Ying Wang、Bin Ding、Peng Cheng、Dai-Zheng Liao、Shi-Ping Yan

  DOI：10.1021/ic060855y

  日期：2007.3.1

  4-triazole (L2) produced dinuclear complexes and a 1D molecular-ladder coordination polymer, while the reaction of tritopic ligand 4-(3-pyridinyl)-1,2,4-triazole (L3) with AgClO4 afforded a right-handed helical 2D network with (4,4) topology, a meso layer constructed via left- and right-handed helical chains with AgBF4, and a 2D 4.8(2) net containing no helical chain with AgNO3. Using a tetratopic triazole

  产生了具有双位三唑配体4-（水杨亚氨基）-1,2,4-三唑（L1）和4-（2-吡啶基）-1,2,4-三唑（L2）的银（I）盐自组装体双核配合物和一维分子梯形配位聚合物，而三位配体4-（3-吡啶基）-1,2,4-三唑（L3）与AgClO4的反应提供了带有（4,4 ）拓扑，通过左手和右手螺旋链使用AgBF4构造的介观层和不含AgNO3螺旋链的2D 4.8（2）网。使用四位三唑配体2,6-双（4-三唑基）吡啶（L4），分离出3D配位聚合物。该复合物包含带有菱形通道的阳离子4.63网络，接受两列未配位的ClO4（-）阴离子填充到每个中心腔中。我们的结果表明：（i）配体配位点的增加是获得高维结构的有效途径，并且（ii）阴离子可能会影响配体的构型，从而将配位网络拓扑结构从具有螺旋链的配位体调整到那些配体。没有。在固态下，所有复合物均显示强荧光发射带，可将其分配给配体内荧光发射。这些配合物在水溶液中的发
• Synthesis of a series of 4-pyridyl-1,2,4-triazole-containing cadmium(<scp>ii</scp>) luminescent complexes
  作者：Bin Ding、Long Yi、Ying Wang、Peng Cheng、Dai-Zheng Liao、Shi-Ping Yan、Zong-Hui Jiang、Hai-Bin Song、Hong-Gen Wang

  DOI：10.1039/b508332j

  日期：——

  bidendate, monodedate and free nitrate anions. When the bridging anions SCN− and dca (dca = N(CN)2−) were added to the reaction system of 1, one-dimensional (1D) [Cd(L1)2(NCS)2]n (2) and two-dimensional (2D) [Cd(L1)2(dca)2]n (3) were isolated, respectively. When L2 instead of L1 was used, [Cd(L2)2(NCS)2(H2O)2] (4) and 1D [Cd(L2)2(dca)2]n (5) were obtained. When the ratio of Cd to L2 was changed from 1 : 2

  使用两个4取代 三唑 配体， 4-（吡啶-2-基）-1,2,4-三唑（L 1）和4-（吡啶-3-基）-1,2,4-三唑（L 2），一系列小说三唑已经制备了从零到三维不等的–镉（II）配合物，并通过 单晶X射线衍射。[CD 2（μ 2 -L 1）3（L 1）2（NO 3）（μ 2 -NO 3）（H 2 O）2 ]（NO 3）2 ·1.75H 2 O（1）是双核包含双齿，单齿和自由的复合体硝酸盐阴离子。当桥接阴离子SCN -和DCA（DCA = N（CN）2 - ）加入的反应体系中1 [CD（L，一维（1D）1）2（NCS）2 ] Ñ（2）和分别分离出二维（2D）[Cd（L 1）2（dca）2 ] n（3）。当使用L 2代替L 1时，[Cd（L 2）2（NCS）2（H 2 O）2 ]（4）和1D [Cd（L 2）2（dca）2 ] n（5）。当镉为L的比率2是从1变为：2至1：1的反应体系5，三维（3D）[CD
• Syntheses, Structures, and Characterization of a Series of Novel Cobalt(II) Complexes with Bi- and Mono- Triazole Ligands
  作者：XiangXia Wu、Pan Yang、Bin Ding、Gui Xiang Du、Ying Wang

  DOI：10.1080/15533174.2013.797460

  日期：2014.8.9

  complexes [Co(L1)2(NCS)2(H2O)2] (1), [Co2(NCS)4(H2O)6]·3L2 (2) and [Co(L3)2(NCS)2(H2O)2] (L1 = 4–3-pyridine-1,2,4-triazole, L2 = 1,4-bis(4H-1,2,4-triazol-4-yl)benzene, and L3 = 2,6-di(1,2,4- triazol-4-yl)pyridine) have been synthesized. The crystal structures of 1–3 have been determined by single-crystal X-ray diffraction analysis. 1 and 3 has the mononuclear fundamental structure unit while 2 form the

  使用双三唑和单三唑配体，制备了一系列新型钴（II）配合物[Co（L 1）2（NCS）2（H 2 O）2 ]（1），[Co 2（NCS）4（H 2 O）6 ]·3L 2（2）和[Co（L 3）2（NCS）2（H 2 O）2 ]（L 1 = 4–3-吡啶-1,2,4-三唑，L 2 = 1,4-双（4H-1,2,4-三唑-4-基）苯和L 3＝已经合成了2，6-二（1,2,4-三唑-4-基）吡啶）。1-3的晶体结构已通过单晶X射线衍射分析确定。1和3具有单核基本结构单元，而2形成双核结构单元。1-3通过分子间氢键和芳香π-π堆积相互作用组装成三维（3D）超分子复合物。配合物1-3也已通过元素分析，FT-IR和TGA分析进行了表征。可变温度磁化率测量（2-300 K）也揭示了在弱反铁磁相互作用2。
• 7-Oxo-4-thia-1-azabicyclo(3.2.0)hept-2-ene derivatives
  申请人：HOECHST UK LIMITED

  公开号：EP0127847A1

  公开（公告）日：1984-12-12

  A process for the preparation of a compound of the general formula I is described according to which a compound of the general formula IIb is reacted with a compound of formula III in which L represents a leaving group, generally carrying out the reaction in the presence of a base. R' represents an alkylene, alkenylene or alkynylene group, having from 1 to 4 carbon atoms, and R2 represents a heterocyclic group having a five-membered or 6-membered ring with 1 to 4 heteroatoms, selected from oxygen sulfur and nitrogen, and being linked to the adjacent sulphur atom via a ring carbon atom.

  通式 I 化合物的制备工艺 的制备方法，根据该方法，通式 IIb 的化合物 与通式 III 的化合物反应 其中 L 代表离去基团，通常在碱存在下进行反应。 R' 代表具有 1 至 4 个碳原子的亚烷基、亚烯基或亚炔基，以及 R2 代表杂环基团，具有 1 至 4 个杂质原子的五元环或六元环，这些杂质原子可选 自氧、硫和氮，并通过环上的碳原子与相邻的硫原子相连。
• Various structures from 1D to trinuclear by anion-induced conversion
  作者：Xiu Guang Wang、Xiao Tong Han、Qiong Zhou、Ying Wang、Gui Yan Liu

  DOI：10.1016/j.ica.2012.01.048

  日期：2012.5

  Reaction of ZnCl2 or ZnBr2 with 4-(3-pyridinyl)-1,2,4-triazole (pytrz) yields two novel 1D coordination polymers, [Zn(pytrz)Cl-2](n) (1) and [Zn(pytrz)Br-2](n) (2). Their crystal structures have been determined using X-ray single crystal diffraction analysis. Their subsequent reactions with additional NaClO4 resulted in a re-assembled molecular structure, [Zn-3(pytrz)(6)(H2O)(6)](ClO4)(3) (3), featuring a linear trinuclear complex. In this work, conversion from 1D to 0D triggered by anion-induce have been achieved based on pytrz. ClO4 anions may act as the templates during the re-assembly and all of the three complexes exhibit strong blue fluorescence emission bands in the H2O solution at ambient temperature. (C) 2012 Elsevier B.V. All rights reserved.