1-((1H-1,2,4-triazol-1-yl)methyl)-3,5-bis(4-pyridyl)-1,2,4-triazole

• 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: 1-((1H-1,2,4-triazol-1-yl)methyl)-3,5-bis(4-pyridyl)-1,2,4-triazole
• 英文别名: 1-((1h-1,2,4-Triazol-1-yl)methyl)-3,5-bis(4-pyridyl)-1,2,4-triazole；4-[5-pyridin-4-yl-1-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]pyridine
• 化学式: C₁₅H₁₂N₈
• 分子量: 304.314
• InChiKey: LZNFTGINXWDRFK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  87.2
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  1-((1H-1,2,4-triazol-1-yl)methyl)-3,5-bis(4-pyridyl)-1,2,4-triazole 、 2'-carboxybiphenyl-4-ylmethylphosphonic acid 、 copper(II) acetate monohydrate 在 sodium hydroxide 作用下， 以 水 为溶剂， 以38%的产率得到[Cu(1-((1H-1,2,4-triazol-1-yl)methyl)-3,5-bis(4-pyridyl)-1,2,4-triazole)(2'-carboxybiphenyl-4-ylmethylphosphonic acid)]*H₂O
  参考文献：
  名称：

  基于有机膦酸阴离子和多齿 N 供体配体的两种配位聚合物的金属离子定向组装

  摘要：

  摘要 两种新型配位聚合物 [Cd(4,4'-tmbpt)(HL)(H2O)] (1) 和 [Cu(4,4'-tmbpt)(HL)]·H2O (2) (H3L = 2' -羧基联苯-4-基甲基膦酸和4,4'-tmbpt = 1-((1H-1,2,4-三唑-1-基)甲基)-3,5-双(4-吡啶基)-1,2， 4-三唑）是水热合成的。这两种化合物具有相同的金属与配体比率，但具有不同的金属离子。结果，这两种化合物显示出不同的二维层结构，这主要是由于不同金属离子的配位数不同造成的。研究了金属离子对化合物结构、光学带隙、光致发光和光催化性能的影响。

  DOI：

  10.1016/j.molstruc.2016.09.029

文献信息

• Syntheses, structures, characterization and photoluminescent properties of six coordination polymers based on multidentate N-donor ligands and polycarboxylate anions
  作者：Wei-Qiu Kan、Shi-Zheng Wen、Yu-He Kan、Hua-You Hu、Shao-Yue Niu、Xing-Yan Zhang

  DOI：10.1016/j.poly.2014.08.020

  日期：2015.1

  A series of coordination polymers constructed from tripodal N-donor ligands and polycarboxylate anions, namely, [Ag6(3,4 '-tmbpt)(btc)2]center dot 2H(2)O (1), [Ag-2(3,4 '-tmbpt)(H(2)btec).H2O-120 (2), [Ag-2(4,4 '-tmbpt)(Hbtc).H2O (3), [Cd-3(4,4 '-tmbpt)(btc)(2)(H2O)6]center dot 7H(2)O (4), [Co(4,4'-tmbpt)(btec)0.5(F120)1 (5) and [Ni(4,41-tmbpt)(btec)0.5 (H2O)] (6), where 3,4 '-tmbpt = 1-((1H-1,2,4-triazol-1-yl)methyl)-3-(4-pyridy1)-5-(3-pyridy1)-1,2,4-triazole, 4,4 '-tmbpt = 1 -((1H-1,2,4-triazol-1-y1)methyl)-3,5-bis(4-pyridy1)-1,2,4-triazole, H(3)btc = 1,3,5-benzenetricarboxylic acid, and RIbtec = 1,2,4,5-benzenetetracarboxylic acid, have been hydrothermally prepared. Single crystal X-ray diffraction analyses indicate that compound 1 exhibits a 3D (3,4,6)-connected framework with (4.6(2))(2)(6.8(5))(2)(4.6(2),8(3).12) topology. Compound 2 has a 3D (3,4)-connected framework with (6(3))2(4(2).6(4))(4(2).6(3).8) topology. Compound 3 exhibits a 2D layer structure. Compound 4 shows a 3D 2-fold interpenetrating framework with (6.10(2)) topology. Compounds 5 and 6 exhibit similar 2D -> 3D polythreading architectures. These compounds have been characterized by infrared spectra (IR), elemental analyses and powder X-ray diffraction (PXRD) analyses. The effects of the organic anions on the structures of the compounds have been discussed. Moreover, the photoluminescent properties of the compounds have been investigated. (C) 2014 Elsevier Ltd. All rights reserved.
• Metal ions directed assembly of two coordination polymers based on an organic phosphonate anion and a multidentate N-donor ligand
  作者：Wei-Qiu Kan、Ji-Ming Xu、Shi-Zheng Wen、Lin Yang

  DOI：10.1016/j.molstruc.2016.09.029

  日期：2017.1

  Abstract Two new coordination polymers [Cd(4,4′-tmbpt)(HL)(H2O)] (1) and [Cu(4,4′-tmbpt)(HL)]·H2O (2) (H3L = 2′-carboxybiphenyl-4-ylmethylphosphonic and 4,4′-tmbpt = 1-((1H-1,2,4-triazol-1-yl)methyl)-3,5-bis(4-pyridyl)-1,2,4-triazole) have been synthesized hydrothermally. The two compounds have the same metal to ligand ratio, but different metal ions. As a result, the two compounds display different

  摘要 两种新型配位聚合物 [Cd(4,4'-tmbpt)(HL)(H2O)] (1) 和 [Cu(4,4'-tmbpt)(HL)]·H2O (2) (H3L = 2' -羧基联苯-4-基甲基膦酸和4,4'-tmbpt = 1-((1H-1,2,4-三唑-1-基)甲基)-3,5-双(4-吡啶基)-1,2， 4-三唑）是水热合成的。这两种化合物具有相同的金属与配体比率，但具有不同的金属离子。结果，这两种化合物显示出不同的二维层结构，这主要是由于不同金属离子的配位数不同造成的。研究了金属离子对化合物结构、光学带隙、光致发光和光催化性能的影响。