3-(2-pyridyl)-4,5-bis(4-pyridyl)-1,2,4-triazole | 1239035-05-2

• 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: 3-(2-pyridyl)-4,5-bis(4-pyridyl)-1,2,4-triazole
• 英文别名: 3,4-bis(4-pyridyl)-5-(2-pyridyl)-1,2,4-triazole；2-(4,5-Dipyridin-4-yl-1,2,4-triazol-3-yl)pyridine；2-(4,5-dipyridin-4-yl-1,2,4-triazol-3-yl)pyridine
• CAS: 1239035-05-2
• 化学式: C₁₇H₁₂N₆
• 分子量: 300.322
• InChiKey: ITINFKPQBHSMRA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  23
• 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：
  69.4
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  3-(2-pyridyl)-4,5-bis(4-pyridyl)-1,2,4-triazole 、 cadmium(II) iodide 以 甲醇 、 水 为溶剂， 以46%的产率得到[Cd(3-(2-pyridyl)-4,5-bis(4-pyridyl)-1,2,4-triazole)I₂]₂
  参考文献：
  名称：

  Solvent-regulated assemblies of silver(I) and cadmium(II) supramolecular complexes with versatile tripyridyltriazole multidentate ligands

  摘要：

  This work presents two pairs of Ag(I) and Cd(II) supramolecular complexes assembled based on two versatile tripyridyltriazole ligands 3,5-bis(2-pyridyl)-4-(4-pyridyl)-1,2,4-triazole (L-242) and 3-(2-pyridyl)-4,5-bis(4-pyridyl)-1,2,4-triazole (L-244), respectively. All four complexes have been prepared under similar conditions and characterized by elemental analysis, IR, and powder X-ray diffraction techniques. Single-crystal X-ray diffraction indicates that these complexes display the infinite 1-D and 2-D arrays for {[Ag(L-242)(CF3COO)](CH3OH)}(n) (1) and {[Ag-2(L-242)(CF3COO)(2)](CH3CN)(0.75)(H2O)(0.25)}(n) (2) as well as discrete dinuclear and tetranuclear coordination patterns for [Cd(L-244)I-2](2) (3) and [Cd-2(L-244)(2)I-4(DMF)(2)](2)(DMF)(2) (4). In 1 and 3, extended supramolecular architectures are further constructed via aromatic stacking interactions. Structural difference for each pair of complexes can be properly assigned to the significant solvent effect on assembled reactions (CH3OH-H2O vs. CHCl3-CH3CN for 1 and 2 as well as CH3OH-H2O vs. H2O-DMF for 3 and 4). Thermal stability and fluorescence of these complexes have also been investigated. (c) 2012 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.ica.2012.10.014
• 作为产物：
  描述：

  异烟肼 、 N-(pyridine-4-yl)pyridine-2-carbothioamide 以 正丁醇 为溶剂， 反应 48.0h， 以68%的产率得到3-(2-pyridyl)-4,5-bis(4-pyridyl)-1,2,4-triazole
  参考文献：
  名称：

  新型一维锰（II）配位聚合物纳米结构的声化学合成与表征。

  摘要：

  一种新的Mn（II）配位聚合物[Mn（L1）2（NCS）2] n（1）[L1 = 3,4-双（4-吡啶基）-5-（2-吡啶基）-1,2，使用热梯度法，通过配体L1与乙酸锰（II）和硫氰酸钾的混合物反应合成[4-三唑]。化合物1已经通过IR光谱，元素分析和X射线晶体学表征。通过单晶X射线衍射确定化合物1的晶体结构，并显示出新的有趣的一维配位聚合物。化合物1的纳米结构已经通过声化学方法合成。通过X射线粉末衍射，扫描电子显微镜（SEM）和红外光谱对产物进行表征。通过热重分析和差热分析研究了化合物1纳米颗粒的热稳定性。

  DOI：

  10.1016/j.ultsonch.2014.11.011

文献信息

• Anion-directed assembly of two fluorescent Cd(II) coordination polymers with a versatile multidentate N-donor building block 3-(2-pyridyl)-4,5-bis(4-pyridyl)-1,2,4-triazole
  作者：Wei Guo、Yu-Yan Yang、Miao Du

  DOI：10.1016/j.inoche.2010.04.015

  日期：2010.7

  (L1) and pseudohalide anion dicyanamide (dca) or azide (N3) yields two coordination polymers [Cd(L1)2(dca)2](H2O)2}n (1) and [Cd2(L1)(μ1,1-N3)2(μ1,3-N3)(N3)](H2O)1.5}n (2). Single crystal X-ray diffraction analysis indicates that the Cd(II) centers in 1 are bridged by the bidentate L1 ligands to form 1D arrays, which are further extended to a 3D network via hydrogen bonding and aromatic stacking

  摘要 用新型三吡啶基三唑结构单元 3-(2-吡啶基)-4,5-双(4-吡啶基)-1,2,4-三唑 (L1) 和拟卤化物阴离子双氰胺 (dca) 组装硝酸镉 (II)或叠氮化物 (N3) 产生两种配位聚合物 [Cd(L1)2(dca)2](H2O)2}n (1) 和 [Cd2(L1)(μ1,1-N3)2(μ1,3- N3)(N3)](H2O)1.5}n (2)。单晶 X 射线衍射分析表明 1 中的 Cd(II) 中心通过双齿 L1 配体桥接形成一维阵列，并通过氢键和芳烃堆积进一步扩展为 3D 网络。值得注意的是，2 中的 L1 配体显示出不寻常的五齿配位，叠氮化物阴离子采用不同的 μ1,1-、μ1,3- 和单齿结合模式，将 Cd(II) 离子互连以提供复杂的 3D 开放框架，其中包含格水客。
• Solvent-regulated assemblies of silver(I) and cadmium(II) supramolecular complexes with versatile tripyridyltriazole multidentate ligands
  作者：Jian Guo、Cheng-Peng Li、Miao Du

  DOI：10.1016/j.ica.2012.10.014

  日期：2013.1

  This work presents two pairs of Ag(I) and Cd(II) supramolecular complexes assembled based on two versatile tripyridyltriazole ligands 3,5-bis(2-pyridyl)-4-(4-pyridyl)-1,2,4-triazole (L-242) and 3-(2-pyridyl)-4,5-bis(4-pyridyl)-1,2,4-triazole (L-244), respectively. All four complexes have been prepared under similar conditions and characterized by elemental analysis, IR, and powder X-ray diffraction techniques. Single-crystal X-ray diffraction indicates that these complexes display the infinite 1-D and 2-D arrays for [Ag(L-242)(CF3COO)](CH3OH)}(n) (1) and [Ag-2(L-242)(CF3COO)(2)](CH3CN)(0.75)(H2O)(0.25)}(n) (2) as well as discrete dinuclear and tetranuclear coordination patterns for [Cd(L-244)I-2](2) (3) and [Cd-2(L-244)(2)I-4(DMF)(2)](2)(DMF)(2) (4). In 1 and 3, extended supramolecular architectures are further constructed via aromatic stacking interactions. Structural difference for each pair of complexes can be properly assigned to the significant solvent effect on assembled reactions (CH3OH-H2O vs. CHCl3-CH3CN for 1 and 2 as well as CH3OH-H2O vs. H2O-DMF for 3 and 4). Thermal stability and fluorescence of these complexes have also been investigated. (c) 2012 Elsevier B. V. All rights reserved.
• Sonochemical synthesis and characterization of new one-dimensional manganese(II) coordination polymer nanostructures
  作者：Ahmad Morsali、Hassan Hosseini-Monfared、Ali Morsali、Peter Mayer

  DOI：10.1016/j.ultsonch.2014.11.011

  日期：2015.5

  Mn(II) coordination polymer, [Mn (L1)2(NCS)2]n (1) [L1=3,4-bis(4-pyridyl)-5-(2-pyridyl)-1,2,4-triazole] was synthesized by the reaction of ligand L1 and mixtures of manganese(II) acetate and potassium thiocyanate using the heat gradient method. Compound 1 has been characterized by IR spectroscopy, elemental analyses and X-ray crystallography. The crystal structure of compound 1 was determined by single-crystal

  一种新的Mn（II）配位聚合物[Mn（L1）2（NCS）2] n（1）[L1 = 3,4-双（4-吡啶基）-5-（2-吡啶基）-1,2，使用热梯度法，通过配体L1与乙酸锰（II）和硫氰酸钾的混合物反应合成[4-三唑]。化合物1已经通过IR光谱，元素分析和X射线晶体学表征。通过单晶X射线衍射确定化合物1的晶体结构，并显示出新的有趣的一维配位聚合物。化合物1的纳米结构已经通过声化学方法合成。通过X射线粉末衍射，扫描电子显微镜（SEM）和红外光谱对产物进行表征。通过热重分析和差热分析研究了化合物1纳米颗粒的热稳定性。