5'-(pyridin-2-yl)-2H,4'H-3,3'-bi(1,2,4-triazole) | 1345045-46-6

• 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: 5'-(pyridin-2-yl)-2H,4'H-3,3'-bi(1,2,4-triazole)
• 英文别名: 5'-(pyridin-2-yl)-1-H,2'-H-3,3'-bis(1,2,4-triazole)；3-(pyrid-2-yl)-5-(1H-1,2,4-triazol-3-yl)-1,2,4-triazolyl；5′-(pyridin-2-yl)-1H,2′H-3,3′-bi(1,2,4-triazole)；3-(pyrid-2-yl)-5-(1H-1,2,4-triazol-3-yl)-1,2,4-triazole；5-(Pyridin-2-yl)-3,3'-bi(1H-1,2,4-triazole)；2-[5-(1H-1,2,4-triazol-5-yl)-1H-1,2,4-triazol-3-yl]pyridine
• CAS: 1345045-46-6
• 化学式: C₉H₇N₇
• 分子量: 213.201
• InChiKey: KJXRUIQVQGMWJY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  96
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  5'-(pyridin-2-yl)-2H,4'H-3,3'-bi(1,2,4-triazole) 、 cadmium(II) iodide 以 水 为溶剂， 反应 72.0h， 以80%的产率得到
  参考文献：
  名称：

  Tune Structures and Fluorescent Properties of Two Polymers by Auxiliary Ligands

  摘要：

  Two novel metal-organic frameworks (MOFs), {Cd(Hpbt)I}(n) (1) and {Cd(Hpbt)(C2O4)(0.5)}(n) (2), have been solvothermally synthesized by the reaction of (H(2)pbt) (H(2)pbt = 5'-(pyridin-2-yl)-2H,4'H-3,3'-bi(1,2,4-triazole)) and CdI2. X-ray crystal structural analyses reveal that polymer 1 shows one-dimensional structure and polymer 2 exhibits two-dimensional structure. The structure diversities are due to the addition of oxalic acid on the same synthesis conditions. Oxalic acid acts as a linker connecting the 1D structure of 1 to form 2D structure of 2. Furthermore, the solid luminescent measurements show that polymers 1 and 2 exhibit entirely different fluorescent emission intensities at room temperature.

  DOI：

  10.1080/15533174.2013.843549

文献信息

• Tuning the Helical Structures of Wells–Dawson Polyoxometalate Based Hybrid Compounds by Using Isomeric Ligands
  作者：Pei-Pei Zhu、Long-Jiang Sun、Ning Sheng、Jing-Quan Sha、Guo-Dong Liu、Lian Yu、Hong-Bin Qiu、Shu-Xian Li

  DOI：10.1021/acs.cgd.6b00119

  日期：2016.6.1

  To explore the effect of the isomeric organic ligand on the helical structure, herein, three Wells–Dawson polyoxometalates (POMs) based hybrid compounds with different helical structures by using the isomeric pyttz organic ligands, [Ag5(pyttz-I)3(H2O)2(HP2W18O62)]·H2O (1), [Ag10(pyttz-II)6(trz)2(H2O)6][HP2W18O62]2·8H2O (2), and K2[Ag7(pyttz-III)4][P2W18O62]·2H2O (3), were successfully isolated. Compound

  为了探索同分异构有机配体对螺旋结构的影响，在此，我们使用了三种同位异氰酸酯化的有机Pttz配体[Ag 5（pyttz-I）3（H ），这是基于三种具有不同螺旋结构的Wells-Dawson多金属氧酸盐（POM）2 O）2（HP 2 W 18 O 62）]·H 2 O（1），[Ag 10（pyttz-II）6（trz）2（H 2 O）6 ] [HP 2 W 18 O 62 ] 2 ·8H 2 O（2），成功分离出K 2 [Ag 7（pyttz-III）4 ] [P 2 W 18 O 62 ]·2H 2 O（3）。化合物1显示了由三种纯无机螺旋链构建并由有机分子稳定的三维（3D）无机骨架，化合物2也是如此，但3D框架由两种类型的有机-无机杂化螺旋链构建。注意化合物3显示了带有一种有机-无机杂化螺旋链的二维层。已经报道了有机配体对新化合物的螺旋结构的影响。此外，三种新化合物对MB的光分解的光催化结果表明，基于Wells-Dawson
• Four Hybrid Materials Based on Preyssler P₅W₃₀ Polyoxometalate and First-Row Transition-Metal Complex
  作者：Tuo-Ping Hu、Ya-Qin Zhao、Zvonko Jagličić、Kai Yu、Xing-Po Wang、Di Sun

  DOI：10.1021/acs.inorgchem.5b00962

  日期：2015.8.3

  pillared-layer 3D network constructed from [Cu5(ttbz)(Httbz)2(OH)3(H2O)4] sheets pillared by individual P5W30 clusters. Compound 3 contains octa-supporting P5W30 POM clusters and novel [Ni6(bpz)6] crown-like metallamacrocycles, which construct a (4,4)-connected pts network. Compound 4 displays a complicated 3D (5,5)-connected 45·64·8}45·65} network built by pentasupporting P5W30 POM clusters and discrete

  四个基于Preyssler P 5 W 30的无机-有机杂化物，配制为[Cu 12（pbtz）2（Hpbtz）2（OH）4（H 2 O）16 ] [Na（H 2 O）P 5 W 30 O 110 ]}·16H 2 O（1 ; H 2 pbtz = 5' - （吡啶-2-基）-1- ħ，2' ħ -3,3'-双（1,2,4-三唑）），[ Cu 10（ttbz）2（Httbz）4（OH）6（H 2 O）8 ] [K（H 2O）H 2 P 5 W 30 O 110 ]}·30H 2 O（2 ; Httbz = 1-（四唑基--5-基）-4-（三唑基-1-基）苯），[Ni 6（bpz）6（H 2 O）16 ] [Na（H 2 O）H 2 P 5 W 30 O 110 ]}·36H 2 O（3 ; bpz = 3,3'，5,5'-四甲基-4,4-联吡唑），[Co 4（bpz）6（H 2 O）9
• Synthesis, Structure, and SOD-like Activity of a Copper(II) Complex Containing a Bistriazole Group
  作者：Ying-Hua Zhou、Wei-Qing Wan、Da-Liang Sun、Jun Tao、Li Zhang、Xian-Wen Wei

  DOI：10.1002/zaac.201300238

  日期：2014.1

  method at LANL2DZ level, indicating that the copper(II) ion has the potential to accept the electron of O2·–. The complex showed quasi-reversible one-electron CuII/CuI redox waves with redox potentials of –0.034 V. The SOD-like activity (IC50) of 1 was measured to be 0.18 ± 0.01 μM by xanthine/xanthine oxidase-NBT assay at pH 7.8. The relatively high SOD activity suggests that the positive charge of protonated

  双核络合物 [Cu2(HL)2(H2O)2](ClO4)2 (1) [H2L = 5'-(pyridin-2-yl)-1-H,2'-H-3, 3'-bis (1, 2,4-三唑)] 得到并充分表征。它表现出中心对称构型，其中每个铜 (II) 离子与两个三唑配体的四个氮原子和来自水分子的一个氧原子呈五配位。使用高斯 98 程序和 Hartree-Fock 方法在 LANL2DZ 水平上获得净原子电荷分布和原子轨道对前沿分子轨道的贡献，表明铜 (II) 离子具有接受 O2·-电子的潜力。该复合物显示出准可逆的单电子 CuII/CuI 氧化还原波，氧化还原电位为 –0.034 V。在 pH 值下，通过黄嘌呤/黄嘌呤氧化酶-NBT 测定测得 1 的类 SOD 活性 (IC50) 为 0.18 ± 0.01 μM 7.8.
• Self-assembly of unprecedented [8 + 12] Cu-metallamacrocycle-based 3D metal–organic frameworks
  作者：Zhouqing Xu、Qiang Wang、Huijun Li、Wei Meng、Yi Han、Hongwei Hou、Yaoting Fan

  DOI：10.1039/c2cc31590d

  日期：——

  [8 + 12]-metallamacrocycle-based 3D frameworks [Cu4(pbt)2(SO4)2(DMF)2(CH3OH)]·7H2O·DMF}n (1) and [12]-macrocycle 3D [Cu2(pbt)(SO4)(DMSO)(CH3OH)2]·5H2O·CH3OH}n (2) have been obtained. Both complexes display antiferromagnetic couplings and high catalytic activity in the oxidative coupling reaction of 1-ethynylbenzene and oxazolidin-2-one.

  获得了基于[8â+â12]-金属环的三维框架[Cu4(pbt)2(SO4)2(DMF)2(CH3OH)]Â-7H2OÂ-DMF}n (1)和[12]-金属环的三维[Cu2(pbt)(SO4)(DMSO)(CH3OH)2]Â-5H2OÂ-CH3OH}n (2)。这两种配合物在 1-乙炔基苯和噁唑烷-2-酮的氧化偶联反应中都显示出反铁磁耦合和高催化活性。
• Structure refinement and photocatalytic properties of porous POMCPs by selecting the isomerous PYTTZ
  作者：Liang Li、Jing-Wen Sun、Jing-Quan Sha、Guang-Ming Li、Peng-Fei Yan、Cheng Wang、Lian Yu

  DOI：10.1039/c4dt02960g

  日期：——

  Two POMCPs with similar building units and different motifs of tunnels were reported.

  报道了两个具有相似建筑单元但隧道结构不同的POMCPs。