3,5-bis(4-pyridyl)-4-(3-pyridyl)-1,2,4-triazole | 1310096-59-3

• 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: 3,5-bis(4-pyridyl)-4-(3-pyridyl)-1,2,4-triazole
• 英文别名: 3-(3,5-Dipyridin-4-yl-1,2,4-triazol-4-yl)pyridine；3-(3,5-dipyridin-4-yl-1,2,4-triazol-4-yl)pyridine
• CAS: 1310096-59-3
• 化学式: C₁₇H₁₂N₆
• 分子量: 300.322
• InChiKey: MBWKVNUSMQOPAJ-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：

  3,5-bis(4-pyridyl)-4-(3-pyridyl)-1,2,4-triazole 、 cadmium(II) chloride 以 甲醇 、 水 为溶剂， 反应 0.5h， 生成 [Cd₃(3,5-bis(4-pyridyl)-4-(3-pyridyl)-1,2,4-triazole)₂Cl₆]_n
  参考文献：
  名称：

  Three distinct cadmium coordination polymers with a multidentate tripyridyl-substituted triazole tecton regulated by halide anions

  摘要：

  Three distinct Cd(II) coordination polymers [Cd-3(L-434)(2)Cl-6](n) (1), [Cd(L-434)(2)Br-2](n) (2), and [Cd-2(L-434)(2)I-4 (H2O)(2)](n) (3) have been designed and synthesized with a versatile building block 3,5-bis(4-pyridyl)-4-(3-pyridyl)-1,2,4-triazole (L-434) by altering the Cd(II) halides of reaction systems. Single crystal X-ray diffraction reveals that 1-3 display different zigzag, box-like, and ladder-like 1D polymeric motifs, respectively. Moreover, aromatic stacking interactions are observed in all these structures to extend and/or stabilize the supramolecular lattices. Their thermal stabilities and fluorescent properties have also been explored. Significantly, the regular variation in structural patterns and photoluminescence properties of 1-3 can be properly ascribed to the diversification of halide anions. (C) 2013 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2013.08.022

文献信息

• Diverse Cd(II) coordination polymers with a multidentate N-donor ligand 3,5-bis(4-pyridyl)-4-(3-pyridyl)-1,2,4-triazole and pseudohalide anions
  作者：Yan Sun、Wei Guo、Miao Du

  DOI：10.1016/j.inoche.2011.03.015

  日期：2011.6

  Abstract Assemblies of 3,5-bis(4-pyridyl)-4-(3-pyridyl)-1,2,4-triazole (L3) with Cd(II) in the presence of different pseudohalide anions [N3−, dca (dicyanamide) or SCN−] produce three distinct coordination polymers, i.e. [Cd5(L3)2(H2O)2(N3)10](CH3OH)2(H2O)4}n (1), [Cd(L3)2(dca)2]n (2) and [Cd(L3)2(SCN)2]n (3). In 1, the N3− anions with three different coordination modes bridge the Cd(II) ions to form

  摘要 3,5-双(4-吡啶基)-4-(3-吡啶基)-1,2,4-三唑 (L3) 与 Cd(II) 在不同拟卤阴离子 [N3−, dca (双氰胺）或 SCN-] 产生三种不同的配位聚合物，即 [Cd5(L3)2(H2O)2(N3)10](CH3OH)2(H2O)4}n (1), [Cd(L3)2( dca)2]n (2) 和 [Cd(L3)2(SCN)2]n (3)。在图 1 中，具有三种不同配位模式的 N3− 阴离子桥接 Cd(II) 离子以形成二维无机层，该层由三齿 L3 配体扩展以形成 3-D 配位框架。在 2 和 3 中，阴离子（dca 或 SCN−）作为末端配位，L3 作为双齿桥，导致 2 的一维双链和 3 的双链手性螺旋。 热稳定性和荧光还介绍了 1-3。
• Divergent Structural Transformations in 3D Ag(I) Porous Coordination Polymers Induced by Solvent and Anion Exchanges
  作者：Cheng-Peng Li、Jin-Yun Ai、Hongming He、Ming-Ze Li、Miao Du

  DOI：10.1021/acs.cgd.8b01843

  日期：2019.4.3

  series of ten 3D porous coordination polymers (PCPs), [Ag(L434)](BF4)(DMF)2 (1·BF4·DMF), [Ag(L434)](BF4)(CH3CN)2 (1·BF4·CH3CN), [Ag(L434)](BF4)(DMA)(CH3OH) (1·BF4·DMA/CH3OH), [Ag(L434)](ClO4)(DMF)2 (1·ClO4·DMF), [Ag(L434)](CF3SO3)(DMF) (1·CF3SO3·DMF), [Ag(L434)](ClO4)(CH3CN)2 (1·ClO4·CH3CN), [Ag(L434)](PF6)(CH3CN)2 (1·PF6·CH3CN), [Ag(L434)](CH3SO3)(DMA) (1·CH3SO3·DMA), [Ag(L434)](CF3SO3)(DMA) (1·CF3SO3·DMA)

  两个系列的十个3D多孔配位聚合物（PCP），[Ag（L 434）]（BF 4）（DMF）2（1·BF 4 ·DMF），[Ag（L 434）]（BF 4）（CH 3 CN）2（1·BF 4 ·CH 3 CN），[Ag（L 434）]（BF 4）（DMA）（CH 3 OH）（1·BF 4 ·DMA / CH 3 OH），[Ag（L 434）]（ClO 4）（DMF）2（1·ClO 4 ·DMF），[Ag（L 434）]（CF 3 SO 3）（DMF）（1·CF 3 SO 3 ·DMF），[Ag（L 434）]（ClO 4）（CH 3 CN）2（1·ClO 4 ·CH 3 CN）， [Ag（L 434）]（PF 6）（CH 3 CN）2（1·PF 6 ·CH 3 CN），[Ag（L 434）]（CH 3 SO 3）（DMA）（1·CH 3 SO 3 ·DMA），[Ag（L 434）]（CF3 SO
• An Ag(I)-pyridyl-triazole coordination polymer: treatment effect on HBV-associated glomerulonephritis via inhibiting inflammatory genes expression
  作者：Ling-Hui Xiao、Xiao-Wen He

  DOI：10.1080/24701556.2020.1713161

  日期：2020.5.3

  In this study, a new Ag(I)-based coordination polymer (CP) with the chemical formula of [Ag(L)(NO3)](H2O)(MeOH)}(n) (Ag(I)-CP, L = 3,5-bis(4-pyridyl)-4-(3-pyridyl)-1,2,4-triazole) has been prepared via assembling the pyridyl-triazole linker L and AgNO2 in a mixed solvent of CH2Cl2 and MeOH. Furthermore, a green grinding treatment method was used to produce the nano sheets of Ag(I)-CP with good water dispersibility. In biological experiment, the relative expression level of the nuclear factor-kappa B (NF-kappa B), phosphoinositide 3 kinase (PI3K), Ras-Raf-mitogen-activated protein kinase (MAPK) in mRNA level and protein level in HBV infected human renal proximal tubule epithelial cells after nano Ag(I)-CP treatment was detected by RT-PCR and western blot. Molecular docking was finally employed to probe the possible binding interaction of the structure Ag(I)-CP to the DNA protein and non-covalent binding mode was found.
• Halide-ion directed assembly of distinct Cd II coordination polymers with 3,5-bis(4-pyridyl)-4-(3-pyridyl)-1,2,4-triazole and azide
  作者：Bo-Lan Liu、Na Wu、Jing Chen

  DOI：10.1016/j.inoche.2015.06.015

  日期：2015.9

  Two C-II coordination polymers, namely [Cd(L-434)(Br)(N-3)](H2O)(1.75)}(n) (1) and [Cd(L-434)(I)(N-3)(H2O)](n) (2) (L-434 = 3,5-bis(4-pyridyl)-4-(3-pyridyl)-1,2,4-triazole) have been synthesized by reaction of L-434 with CdBr2 or CdI2 in the presence of NaN3 under the same conditions. Single-crystal X-ray diffraction analyses indicate that complex 1 shows a 3D coordination network with unusual gra topology, whereas 2 has a 1D ladder-like coordination chain. The structural distinction on the two complexes, including the different coordination environments of Cd-II and binding modes of L-434 and N-3(-), can be ascribed to the usage of different halide anions from Br- to I-. In addition, the solid-state properties for complexes 1 and 2 such as thermal stability and fluorescence properties have also been investigated. (C) 2015 Elsevier B.V. All rights reserved.
• Three distinct cadmium coordination polymers with a multidentate tripyridyl-substituted triazole tecton regulated by halide anions
  作者：Jing Chen、Na Wu、Cheng-Peng Li

  DOI：10.1016/j.molstruc.2013.08.022

  日期：2013.11

  Three distinct Cd(II) coordination polymers [Cd-3(L-434)(2)Cl-6](n) (1), [Cd(L-434)(2)Br-2](n) (2), and [Cd-2(L-434)(2)I-4 (H2O)(2)](n) (3) have been designed and synthesized with a versatile building block 3,5-bis(4-pyridyl)-4-(3-pyridyl)-1,2,4-triazole (L-434) by altering the Cd(II) halides of reaction systems. Single crystal X-ray diffraction reveals that 1-3 display different zigzag, box-like, and ladder-like 1D polymeric motifs, respectively. Moreover, aromatic stacking interactions are observed in all these structures to extend and/or stabilize the supramolecular lattices. Their thermal stabilities and fluorescent properties have also been explored. Significantly, the regular variation in structural patterns and photoluminescence properties of 1-3 can be properly ascribed to the diversification of halide anions. (C) 2013 Elsevier B.V. All rights reserved.