1-((1H-1,2,4-triazol-1-yl)methyl)-3,5-bis(3-pyridyl)-1,2,4-triazole | 1373944-07-0

• 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(3-pyridyl)-1,2,4-triazole
• 英文别名: 1-((1h-1,2,4-Triazol-1-yl)methyl)-3,5-bis(3-pyridyl)-1,2,4-triazole；3-[5-pyridin-3-yl-1-(1,2,4-triazol-1-ylmethyl)-1,2,4-triazol-3-yl]pyridine
• CAS: 1373944-07-0
• 化学式: C₁₅H₁₂N₈
• 分子量: 304.314
• InChiKey: MZEZKONQGSNLCA-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(3-pyridyl)-1,2,4-triazole 、 zinc(II) acetate dihydrate 、 邻苯二甲酸 在 sodium hydroxide 作用下， 以 水 为溶剂， 反应 72.0h， 以35%的产率得到[Zn(1-((1H-1,2,4-triazol-1-yl)methyl)-3,5-bis(3-pyridyl)-1,2,4-triazole)(1,2-benzenedicarboxyliate)]*monohydrate
  参考文献：
  名称：

  有机阴离子对基于三角形N供体配体的含Zn（ii）配位聚合物自组装的影响†

  摘要：

  一系列配位聚合物，即[Zn（2,3'-tmbpt）（o -bdc）（H 2 O）]（1），[Zn（2,3'-tmbpt）（m -bdc）]（2），[Zn（2,3'-tmbpt）（p -bdc）]·H 2 O（3），[Zn 2（2,3'-tmbpt）（btc）（OH）]·0.5H 2 O （4），[Zn（2,3'-tmbpt）（btec）0.5 ]·2H 2 O（5），[Zn（3,3'-tmbpt）（o -bdc）]·H 2 O（6） ，[Zn（3,3'-tmbpt）（m -bdc）（H 2 O）]·H 2 O（7）和[Zn2（3,3'-tmbpt）（btc）（OH）（H 2 O）]（ 8），其中2,3'-tmbpt = 1-（（1 H -1,2,4-三唑-1-基）甲基）-3-（3-吡啶基）-5-（2-吡啶基）-1,2,4-三唑，3,3'- tmbpt = 1 - （（1 ħ -1,2,4-三唑-1-基）甲基）-3

  DOI：

  10.1039/c2ce25907a

文献信息

• Two Ag(I)-Containing Supramolecular Coordination Polymers Constructed from the Multidentate N-donor Ligand 1-((1H-1,2,4-triazol-1-yl)methyl)-3,5-bis(3-pyridyl)-1,2,4-triazole Based on Hydrogen-Bonding and π–π Interactions: Syntheses, Crystal Structures, Optical Band Gaps and Luminescent Properties
  作者：Wei-Qiu Kan、Shi-Zheng Wen、Pu-Su Zhao

  DOI：10.1007/s10870-020-00877-8

  日期：2021.12

  blue-green light, which may be potential photoactive materials. Two Ag(I)-based 3D supramolecular coordination polymers constructed from a multidentate N-donor ligand and two aromatic polycarboxylate anions via hydrogen-bonding and π–π interactions have been synthesized and characterized. The band gaps and photoluminescent properties of the compounds have been studied.

  两种基于 Ag(I) 的配位聚合物，即 [Ag2(3,3'-tmbpt)(o-Hbdc)2]·H2O (1) 和 [Ag8(3,3'-tmbpt)4(1,2, 4-Hbtc)4( )] (2) (3,3'-tmbpt = 1-((1H-1,2,4-triazol-1-yl)methyl)-3,5-bis(3-pyridyl) )-1,2,4-三唑，o-H2bdc = 1,2-苯二甲酸和 1,2,4-H3btc = 1,2,4-苯三甲酸)，已被合成。已进行单晶 X 射线衍射分析、元素分析、红外光谱、粉末 X 射线衍射分析和热重分析来表征 1 和 2 的结构。化合物 1 显示出 (3,4) 连接的二维层状Schläfli 符号为 (42·6)(42·63·8) 的结构。分子间O-H···O 氢键相互作用将2D 层扩展为3D 超分子结构。化合物 2 具有 (3,3)-连接的双层结构，Schläfli
• Synthesis, structure and properties of a novel 3D pentanuclear [Zn5(OH)2]8+ cluster-based (3,4,11)-connected coordination polymer
  作者：Wei-Qiu Kan、Shi-Zheng Wen、Yu-He Kan、Hua-You Hu、Lin Yang、Dan Li

  DOI：10.1016/j.inoche.2015.08.026

  日期：2015.11

  A novel coordination polymer based on the multidentate N-donor ligand 14(1H-1,2,4-triazol-1-yOmethyl)-3,5-bis(3-pyridy1)-1,2,4-triazole (3,3'-tmbpt) and 1,2,4,5-benzenetetracarboxylate anion (btec), namely, [Zn-5(3,3'-tmbpt)(btec)(2)(OH)(2)] (1), has been synthesized hydrothermally. Compound 1 displays a rare 3D (3,4,11)-connected framework based on a [Zn-5(OH)(2)](8+) cluster. The optical band gap and photoluminescent property of compound 1 have been studied. (C) 2015 Elsevier B.V. All rights reserved.
• Cd(II) and Cu(II) coordination polymers based on a multidentate N-donor ligand: syntheses, crystal structures, optical band gaps, and photoluminescence
  作者：Wei-Qiu Kan、Shi-Zheng Wen、Hua-You Hu、Yu-He Kan

  DOI：10.1080/00958972.2015.1052805

  日期：2015.7.18

  Four Cd(II)- and Cu(II)-containing coordination polymers (CPs) based on a multidentate N-donor ligand and varied dicarboxylate anions, [Cd(3,3-tmbpt)(p-bdc)]2.5H(2)O (1), [Cd(3,3-tmbpt)(m-bdc)]2H(2)O (2), [Cu(3,3-tmbpt)(m-bdc)]H2O (3), and [Cu(3,3-tmbpt)(p-bdc)]2H(2)O (4), where 3,3-tmbpt=1-((1H-1,2,4-triazol-1-yl)methyl)-3,5-bis(3-pyridyl)-1,2,4-triazole, p-H(2)bdc=1,4-benzenedicarboxylic acid, and m-H(2)bdc=1,3-benzenedicarboxylic acid, have been prepared hydrothermally. The structures of the compounds were determined by single-crystal X-ray diffraction analyses and further characterized by infrared spectra and elemental analyses. Compound 1 exhibits a 3-D twofold interpenetrating framework with a 6(5)8 CdSO4 topology. Compound 2 is a 2-D layer containing meso-helical chains with a 4(4)6(2) sql topology. Compound 3 shows a 1-D3-D interdigitated architecture while 4 displays a 2-D3-D interdigitated architecture. The structural differences of the compounds indicate that the dicarboxylate anions and the central metal ions play important roles in the resulting structures of CPs. Optical band gaps and solid-state photoluminescent properties have also been studied.