3,4-bis(2-pyridyl)-5-(3-pyridyl)-1,2,4-triazole | 1312458-37-9

• 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: 3,4-bis(2-pyridyl)-5-(3-pyridyl)-1,2,4-triazole
• 英文别名: 3,4-Bis(2-pyridyl)-5-(3-pyridyl)-4H-1,2,4-triazole；2-(3-pyridin-2-yl-5-pyridin-3-yl-1,2,4-triazol-4-yl)pyridine
• CAS: 1312458-37-9
• 化学式: C₁₇H₁₂N₆
• 分子量: 300.322
• InChiKey: HEGVRRLRIFRPEK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 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：

  aqueous cadmium chloride 、 3,4-bis(2-pyridyl)-5-(3-pyridyl)-1,2,4-triazole 以 甲醇 、 水 为溶剂， 以57%的产率得到Cd(3,4-bis(2-pyridyl)-5-(3-pyridyl)-1,2,4-triazole)Cl2(H2O)6
  参考文献：
  名称：

  Group IIB metal complexes with a multidentate N-donor tecton 3,4-bis(2-pyridyl)-5-(3-pyridyl)-1,2,4-triazole: Metal-directed assemblies, crystal structures and properties

  摘要：

  Three novel group IIB metal complexes [Zn-3(L-4)(2)Cl-6](n), (1), {[Cd(L-4)Cl-2](H2O)(n)}(2) and [Hg(L-4)Cl-2](2) (3) with a multidentate N-donor building block 3,4-bis(2-pyridyl)-5-(3-pyridyl)-1,2,4-triazole (L-4) have been prepared and characterized. Single crystal X-ray diffraction analysis reveals that 1 is a 2D layered coordination polymer constructed from the linkage of [Zn-3(mu-Cl)(2)] trinuclear units by L-4 spacers, 2 shows a ID coordination pattern with [Cd-2(mu-Cl)(2)] dinuclear units and L-4 spacers in pair, whereas 3 has a discrete dinuclear structure. The metal ions used in the assembled processes will dominate the final coordination motifs of these complexes, as also, their extended supramolecular architectures in virtue of various secondary interactions. The solid state properties such as thermal stability and fluorescence of 1-3 are also found to be closely related to the metal centers. (C) 2011 Elsevier B.V All rights reserved.

  DOI：

  10.1016/j.inoche.2011.04.025

文献信息

• Distinct 1D Cd(II) coordination polymers constructed by three isomeric tripyridyltriazole building blocks and thiocyanate anions
  作者：Jian-Hua Guo、Wei Guo、Xi Wang、Miao Du

  DOI：10.1016/j.inoche.2012.05.024

  日期：2012.8

  Abstract To investigate the effect of positional isomerism of ligands on the construction of coordination polymers, three Cd(II) complexes with tripyridyltriazole tectons and thiocyanate anions have been prepared and characterized, namely, [Cd(L4)(μ-SCN)(SCN)]n (1), [Cd(L5)(SCN)2]n (2), and [Cd(L6)(μ-SCN)2]n (3) (L4 = 3,4-bis(2-pyridyl)-5-(3-pyridyl)-1,2,4-triazole, L5 = 3-(2-pyridyl)-4,5-bis(3-pyridyl)-1

  摘要 为了研究配体位置异构对配位聚合物构建的影响，制备并表征了三种具有三吡啶基三唑结构和硫氰酸根阴离子的 Cd(II) 配合物，即 [Cd(L4)(μ-SCN)(SCN) ]n (1), [Cd(L5)(SCN)2]n (2), 和 [Cd(L6)(μ-SCN)2]n (3) (L4 = 3,4-bis(2-pyridyl) )-5-(3-吡啶基)-1,2,4-三唑，L5 = 3-(2-吡啶基)-4,5-双(3-吡啶基)-1,2,4-三唑，L6 = 3-(2-pyridyl)-4-(4-pyridyl)-5-(3-pyridyl)-1,2,4-triazole. 晶体结构分析表明配体的异构效应在调节不同借助硫氰酸根阴离子的多功能性，1-3 的一维配位模式。还研究了 1-3 的热稳定性和荧光等固态特性。
• Anion-directed assembly of cadmium(II)–dicyanamide coordination polymers based on a tripyridyltriazole ligand
  作者：Wei Guo、Cheng-Hui Jiang、Ya-Mei Guo

  DOI：10.1016/j.ica.2013.05.013

  日期：2013.8

  Assemblies of a tripyridyltriazole ligand, 3,4-bis(2-pyridyl)-5-(3-pyridyl)-1,2,4-triazole (L-223) with dicyanamide (dca) anion and different Cd(II) salts in CH3OH-H2O media afford four coordination polymers, namely [Cd-2(L-223)(2)(dca)(4)(H2O)](H2O)4}(n) (1), [Cd(L-223)(dca)(ClO4)](H2O)(0.25)}(n) (2), and [Cd(L-223)(dca)X](n) (X- = Cl- for 3 and Br- for 4). All complexes were structurally determined by single-crystal X-ray diffraction. In 1 and 2, the Cd(II) centers are combined by L-223 spacers to form [Cd-2(L-223)(2)] bimetallic subunits, which are bridged by dca anions to result in the 1D motif and 2D layer, respectively. Complexes 3 and 4 display isostructural 3D homochiral coordination networks that are constructed by 1D [Cd(L-223)](n) helical subunits and dca bridges. These results indicate that the counter anions of Cd(II) salts will be responsible for the diverse structures of coordination polymers 1-4. Their solid state properties such as thermal stability and fluorescence will also be presented. (C) 2013 Elsevier B.V. All rights reserved.
• Ligand-to-metal ratio dependent assembly of two distinct 1D and 3D copper(II)-dicyanamide magnetic coordination polymers with a tripyridyltriazole co-tecton
  作者：Wei Guo、Albert Escuer、Min Tang、Cheng-Hui Jiang、Miao Du

  DOI：10.1016/j.ica.2012.09.031

  日期：2013.7

  Assemblies of Cu(II) chloride with dicyanamide (dca) anion and a tripyridyltriazole co-ligand 3,4-bis (2-pyridyl)-5-(3-pyridyl)-1,2,4-triazole (L-223) under different ligand-to-metal ratios produce two coordination polymers [Cu-5(L-223)(4)(dca)(10)](H2O)(2)}(n) (1) and [Cu(L-223)(dca)Cl](n) (2), displaying distinct 1D double-chain array and 3D chiral dia network, respectively. Weak antiferromagnetic exchanges are observed in both coordination polymers. (C) 2012 Elsevier B. V. All rights reserved.