2,6-双(1,2,4-三唑-1-基)吡啶 | 39242-18-7

• 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
• 中文名称: 2,6-双(1,2,4-三唑-1-基)吡啶
• 中文别名: 2,6-二-三氮唑-吡啶
• 英文名称: 2,6-bis(1,2,4-triazol-1-yl)pyridine
• 英文别名: 2,6-Di(1H-1,2,4-triazol-1-yl)pyridine
• CAS: 39242-18-7
• 化学式: C₉H₇N₇
• 分子量: 213.201
• InChiKey: MFOIBUMMJBNCGI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 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：
  74.3
• 氢给体数：
  0
• 氢受体数：
  5

安全信息

• 海关编码：
  2933990090

反应信息

• 作为反应物：
  描述：

  2,6-双(1,2,4-三唑-1-基)吡啶 在 sodium acetate 、 sulfur 作用下， 以 乙腈 为溶剂， 反应 306.0h， 生成 4-Butyl-2-[6-(4-butyl-5-sulfanylidene-1,2,4-triazol-1-yl)pyridin-2-yl]-1,2,4-triazole-3-thione
  参考文献：
  名称：

  Synthesis, characterization, density functional theory calculations, and activity of a thione-containing NNN-bound zinc pincer complex based on a bis-triazole precursor

  摘要：

  A novel ambidentate tridentate pincer ligand based on a bis-triazole precursor, was prepared, characterized, and metallated with ZnCl2 to give a new tridentate NNN-bound pincer zinc(II) pincer complex: dichloro(eta(3)-N,N,N)-[2,6-bis(3-[N-butyl]triazol-5-thione-1-yl)]pyridinezinc(II), [(NNN)ZnCl2]. This compound has pseudo-trigonal bipyramidal geometry at the zinc(II) center and exhibits metal-ligand binding that contrasts with our previously reported SNS-bound systems despite the availability of these same donor atoms in the current ligand set. The zinc complex was characterized with single crystal X-ray diffraction, H-1, C-13, and HSQC NMR spectroscopies, and electrospray mass spectrometry. The ligand precursors were characterized with H-1, C-13, and HSQC NMR spectroscopies, and cyclic voltammetry, and were found to be redox active. Density functional calculations, which investigate and support the nature of the NNN binding suggest that the experimentally observed oxidation and reduction waves are not the result of a simple one-electron process. The zinc complex was screened for the reduction of electron-poor aldehydes in the presence of a hydrogen donor, 1-benzyl-1,4-dihydronicotinamide (BNAH), and it was determined that they enhance the reduction of 4-nitrobenzaldehyde. Quantitative stoichiometric conversion was seen for the reduction of pyridine-2-carboxaldehyde. (C) 2012 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.ica.2012.07.009

文献信息

• Five isomorphous polyoxometalate-based inorganic-organic hybrid materials comprising 2D metal-organic layers
  作者：Yingying Wu、Ying Liu、Yijiao Huang、Ge Xiao、Yamin Li、Yan Bai、Dongbin Dang

  DOI：10.1016/j.jssc.2020.121302

  日期：2020.6

  hybrid materials [M2(btp)3(H2O)6] (α-SiW12O40)·3H2O}n (M = Co(1), Fe(2), Zn(3), Cd(4), Mn(5)) (btp = 2,6-bis(1,2,4-triazol -1-yl)pyridine), have been hydrothermally synthesized and characterized by IR spectroscopy, single-crystal X-ray diffraction, powder X-ray diffraction (PXRD), elemental analysis and thermal gravimetric analysis (TGA). X-ray single crystal diffraction reveals that compounds 1–5

  五种新的同构无机-有机杂化材料[M 2（btp）3（H 2 O）6 ]（α- SiW 12 O 40）·3H 2 O} n（M = Co（1），Fe（2）， Zn（3），Cd（4），Mn（5））（btp = 2,6-双（1,2,4-三唑-1-基）吡啶）已经水热合成并通过红外光谱表征，单-晶体X射线衍射，粉末X射线衍射（PXRD），元素分析和热重分析（TGA）。X射线单晶衍射显示化合物1-5在具有一个3D三明治框架的三角系统R 3 c非中心空间群中结晶，其中[ α- SiW 12 O 40 ] 4‒聚氧阴离子通过静电相互作用存在于金属有机层之间。此外，化合物1-5在固态时表现出非线性光学（NLO）特性和发光行为。化合物1对罗丹明B（RhB）的降解具有一定的光催化活性。化合物1，4和5表现出显著电化学活动H的还原2 Ò 2和化合物1，2和5显示的反铁磁性的行为。
• Synthesis, structure and heterogeneous catalytic activity of a coordination polymer containing tetranuclear Cu(ii)-btp units connected by nitrates
  作者：Sang-Kun Yoo、Ji Young Ryu、Jun Yong Lee、Cheal Kim、Sung-Jin Kim、Youngmee Kim

  DOI：10.1039/b301082a

  日期：2003.4.4

  A new coordination polymer containing a tetranuclear Cu(II)-btp unit is an effective heterogeneous catalyst for the regioselective ring opening of epoxide by methanol.

  一种含有四核 Cu(II)-btp 单元的新型配位聚合物是甲醇对环氧化物进行区域选择性开环的有效异相催化剂。
• Isopolymolybdate-Based Cobalt/Nickel Coordination Polymers Constructed by V-Type N-Donor Ligands
  作者：Ya-Jie Shi、Lin-Lin Chen、Ying Liu、Ying-Ying Wu、Ya-Min Li、Dong-Bin Dang、Yan Bai

  DOI：10.1021/acs.inorgchem.0c03433

  日期：2021.1.18

  Four novel isopolymolybdate-based coordination polymers (CPs), constructed from 2,6-bis(1,2,4-triazol-1-yl)pyridine (btp), 1,3-bis(4H-1,2,4-triazol-4-yl)benzene (btb), and 3,5-bis(1-imidazolium)pyridine (bip), have been synthesized under a hydrothermal method: [Co(btp)(H2O)2(β-Mo8O26)0.5]·3H2O}n (1), [Ni(btp)(H4Mo6O22)0.5]n (2), [Co(btb)(H2O)(β-Mo8O26)0.5]n (3), and [Co(Hbip)2(H2O)2(γ-Mo8O26)]·6H2O}n

  四个新的基于isopolymolybdate-配位聚合物（CPS），来自2,6-二（1,2,4-三唑-1-基）吡啶（BTP），1,3-双（4-构造ħ -1,2,4- -三唑-4-基）苯（btb）和3,5-双（1-咪唑鎓）吡啶（bip）已通过水热法合成：[Co（btp）（H 2 O）2（β -Mo 8 O 26）0.5 ]·3H 2 O} n（1），[Ni（btp）（H 4 Mo 6 O 22）0.5 ] n（2），[Co（btb）（H 2 O）（β -Mo 8 O 26）0.5] Ñ（3），和[CO（Hbip）2（H 2 O）2（γ-沫8 ö 26）]·6H 2 ö} Ñ（4）。复杂1个展品一个3D框架与含有1D β-沫意想不到3-节点2,4,6- c网拓扑8 ø 26 } Ñ链，6连接的钴II中心，以及V型协调BTP配体。相邻的[Mo 6 O 22 ] 4–络合物2的阴离子被Ni II桥接中心建立一个2D
• Reaction-determined assemblies of 0D to 3D complexes: structural diversities and luminescence properties
  作者：Quan-Quan Li、Wen-Qian Zhang、Chun-Yan Ren、Yan-Ping Fan、Jian-Li Li、Ping Liu、Yao-Yu Wang

  DOI：10.1039/c6ce00273k

  日期：——

  ligands and transition metal ions produce ten complexes, namely, [Zn2(nbtc)(bpa)·H2O]n (1), [Zn2(nbtc)(bpe)·H2O]n (2), [Zn2(nbtc)(2,2′-dpy)]n (3), Zn(H3nbtc)(phen)2 (4), (H3O)2[Cd3(nbtc)2(H2O)3]·5H2O}n (5), [Cd2(nbtc)(ndpy)·0.5H2O]n (6), [Ag2(H2nbtc)(bpp)]n (7), [Co2(nbtc)(phen)2(H2O)2]n (8), [Ni2(nbtc)(phen)2(H2O)2]n (9) and Co(H2nbtc)(phen)2·2H2O (10) (bpa = 1,2-bis(4-pyridyl)ethane, bpe = 1,2-di(4-pyridyl)ethylene

  6,6'-二硝基联苯-2,2'，4,4'-四羧酸（H 4 nbtc），各种N-给体配体和过渡金属离子的反应确定的组装体产生十种络合物，即[Zn 2（nbtc ）（bpa）·H 2 O] n（1），[Zn 2（nbtc）（bpe）·H 2 O] n（2），[Zn 2（nbtc）（2,2'-dpy）] n（3），Zn（H 3 nbtc）（phen）2（4），（H 3 O）2 [Cd 3（nbtc）2（H 2 O）3]·5H 2 O} n（5），[Cd 2（nbtc）（ndpy）·0.5H 2 O] n（6），[Ag 2（H 2 nbtc）（bpp）] n（7），[Co 2（nbtc）（phen）2（H 2 O）2 ] n（8），[Ni 2（nbtc）（phen）2（H 2 O）2 ] n（9）和Co（H 2 nbtc）（phen ）2 ·2H 2 O（10）（bpa = 1,2-双（4-吡啶基）乙烷，bpe
• Three novel polyoxometalate-based inorganic–organic hybrid materials based on 2,6-bis(1,2,4-triazol-1-yl)pyridine
  作者：Yingying Wu、Xuefei Li、Ying Liu、Ge Xiao、Yijiao Huang、Yamin Li、Dongbin Dang、Yan Bai

  DOI：10.1039/c9ra01451a

  日期：——

  spectroscopy, single-crystal X-ray diffraction, powder X-ray diffraction (PXRD), elemental analysis and thermal gravimetric analysis (TGA). The most striking structure feature of compound 1 is a 3D polycatenation framework, interpenetrated by a 2D 4-connected sql topology layer and a 3D 6-connected rob topology framework. Compound 2 exhibits a rare meso-helices 3D network with different chiralities crossing

  三种新型无机-有机杂化材料[Co(btp) 2 (W 5 O 16 )(H 2 O)] n ( 1 ), [Cd 3 (btp) 6 (PW 12 O 40 ) 2 (H 2 O) 6 ·6H 2 O] n ( 2 )、[Ag 3 (btp) 2 (PMo 12 O 40 )·1.5H 2 O] n ( 3) (btp = 2,6-bis(1,2,4-triazol-1-yl)pyridine) 已被水热合成并通过红外光谱、单晶 X 射线衍射、粉末 X 射线衍射 (PXRD) 进行表征，元素分析和热重分析（TGA）。Compound 1最显着的结构特征是一个 3D polycatenation 框架，由一个 2D 4-connected sql拓扑层和一个 3D 6-connected rob拓扑框架相互贯穿。化合物2表现出一种罕见的中间螺旋 3D 网络，具有不同的手性交叉共存。化合物3还具有通过连接