1,4-bis(1,2,4-triazol-1-ylmethyl)-2,3,5,6-tetramethylbenzene | 1338812-80-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1,4-bis(1,2,4-triazol-1-ylmethyl)-2,3,5,6-tetramethylbenzene
• 英文别名: 1-[[2,3,5,6-Tetramethyl-4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-1,2,4-triazole；1-[[2,3,5,6-tetramethyl-4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-1,2,4-triazole
• CAS: 1338812-80-8
• 化学式: C₁₆H₂₀N₆
• 分子量: 296.375
• InChiKey: HNIOCWLOWOGIKB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  61.4
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  zinc(II) nitrate hexahydrate 、 1,4-bis(1,2,4-triazol-1-ylmethyl)-2,3,5,6-tetramethylbenzene 以 甲醇 为溶剂， 以78%的产率得到{[Zn(tmtz)2(H2O)2](NO3)2}n
  参考文献：
  名称：

  Synthesis, Structure, and Properties of a Zinc Coordination Polymer With Flexible Ligand 1,4-Bis(1,2,4-triazol-1-ylmethyl)-2,3,5,6-tetramethylbenzene

  摘要：

  A new zinc coordination polymer, {[Zn(tmtz)(2)(H2O)(2)](NO3)(2)}(n) (1) (tmtz = 1,4-bis(1,2,4-triazol-1-ylmethyl)-2,3,5,6-tetramethyl benzene), has been synthesized and characterized by elemental analysis, IR, and single-crystal X-ray diffraction. 1 consists of one-dimensional cationic chains [Zn(tmtz)(2)(H2O)(2)](n) containing alternative two kinds of perpendicular rings [Zn-2(tmtz)(2)]. Each [Zn-2(tmtz)(2)] ring encapsulates two nitrate anions through the O-H...O hydrogen bond interactions. Each cationic chain is surrounding by four nearest identical chains and four second nearest chains. A three-dimensional supramolecular network is constructed through the benzene ring center dot center dot center dot stacking interactions. The interesting properties of inverse anion exchange were observed. Also, the luminescence and thermal stability were investigated. Supplemental materials are available for this article. Go to the publisher's online edition of Synthesis and Reactivity in Inorganic, Metal-Organic, and Nano-Metal Chemistry to view the supplemental file.

  DOI：

  10.1080/15533174.2012.756024

文献信息

• A 3D copper(II)-sodium(I)-containing Strandberg-type phosphomolybdate-based coordination framework with a flexible bis(triazole) ligand: Synthesis, crystal structure and catalytic properties
  作者：Jun Chang、Nan Shen、Sheng-Chun Chen、Zhi-Hui Zhang、Xuejun Feng、Kun-Lin Huang、Ming-Yang He、Qun Chen

  DOI：10.1016/j.inoche.2021.108584

  日期：2021.6

  A new copper(II)-sodium(I)-containing phosphomolybdate-based coordination framework, namely, [EMIm][Cu1.5Na(btmx)2.5(H2O)2(HP2Mo5O23)]·0.5H2O}n (denoted as CZU-6, EMIm = 1-methyl-3-ethyl imidazolium, btmx = 1,4-bis(1,2,4-triazole-1-ylmethyl)-2,3,5,6-tetramethyl benzene), was synthesized by using ionic liquid EMIm-Br as a template under hydrothermal conditions. The X-ray structural analysis revealed

  一种新的含铜（II）-钠（I）的基于磷钼酸盐的配位骨架，即[EMIm] [Cu 1.5 Na（btmx）2.5（H 2 O）2（HP 2 Mo 5 O 23）]·0.5 H 2 O} n（表示为CZU-6，EMIm = 1-甲基-3-乙基咪唑鎓，btmx = 1,4-双（1,2,4-三唑-1-基甲基）-2,3,5，以离子液体EMIm-Br为模板，在水热条件下合成了6-四甲基苯）。X射线结构分析表明，CZU-6的第一个例子是具有三节点（4,4,4）连接的sqc的基于3D阴离子多金属氧酸盐的配位框架拓扑网。此外，CZU-6可以直接用作ε-己内酯的无溶剂开环聚合反应的高效多相催化剂，该催化剂易于回收和重复使用多次，而不会损失其结晶度和活性。
• Seven structural versatile coordination polymers based on a flexible bis(triazole) and polycarboxylate co-ligands: syntheses, structures and properties
  作者：Min Li、Qian Ling、Zhi Yang、Bao-Long Li、Hai-Yan Li

  DOI：10.1039/c3ce00057e

  日期：——

  (44·62)(44·610·8). 4 shows a 1D tubular-like chain. 5 exhibits a complicated (3,4,4)-connected 3D network with a point symbol of (4·10·12)2(4·83·10·12)2(82·102·122). Such a (3,4,4)-connected 3D network is unprecedented to the best of our knowledge. 7 displays a 2D (4,4) network which crystallizes in the chiral orthorhombic space group P212121. The results indicate that the central metal ions, polycarboxylate

  七种配位聚合物[Mn（tmtz）0.5（OH- bdc）（H 2 O）2 ]·2.75H 2 O} n（1），[Mn（tmtz）1.5（1,3- bdc ）] n（2），[Mn（tmtz）（1,4-bdc）] n（3），[Co（tmtz）（oba] n（4），[Co 4（tmtz）2（bptc）2（H 2 O）7 ]·3.5H 2 O} n（5），[Ni（tmtz）1.5（1,3- bdc ）]·0.5H 2 O} n（6），[Ni（tmtz）（oba）（H 2 O）] n（7）（tmtz = 1,4-双（1,2,4-三唑-1-基甲基）-2,3,5,6 -四甲基苯，OH-bdc = 5-羟基-1,3-苯二甲酸，1,3-bdc = 1,3-苯二甲酸，1,4-bdc = 1,4-苯二甲酸，H 2 oba =4,4'-氧双（苯甲酸），bptc = 3,3'，4,4'-二苯甲酮四羧酸酯）已经
• Syntheses, structures and properties of two zinc coordination polymers based on bis(triazole) and sulfoisophthalate
  作者：Min Li、Yan-Fen Peng、Shan Zhao、Bao-Long Li、Hai-Yan Li

  DOI：10.1039/c4ra00531g

  日期：——

  Two zinc(II) coordination polymers [Zn(tmtz)(H2O)4][Zn2(tmtz)2(sip)2]·3H2O}n (1) and [Zn3(tmtz)2(sip)2(H2O)4]·2H2O}n (2) (tmtz = 1,4-bis(1,2,4-triazol-1-ylmethyl)-2,3,4,5-tetramethylbenzene, sip = 5-sulfoisophthalate) were synthesized and structurally characterized. X-ray structural analysis shows that 1 is comprised of two distinct and crystallographically independent polymeric motifs polythreading together. The first motif of 1 is the (3,5)-connected 3D anionic network [Zn2(tmtz)2(sip)2]n2n− with point symbol of (42·6)(42·65·83). The second motif in 1 is the [Zn(tmtz)(H2O)4]n2n+ 1D cationic chain. A polythreading array was formed by a (3,5)-connected 3D anionic network and 1D cationic chains in 1. 2 exhibits a (3,4)-connected 2D network with point symbol of (42·8)(42·6·82·10) and constructs a 3D hydrogen bonding architecture. 1 and 2 are effective catalysts for the degradation of methyl orange in the presence of H2O2. The luminescence and thermal analyses are also performed.

  两种锌（II）配合聚合物[Zn(tmtz)(H2O)4][Zn2(tmtz)2(sip)2]·3 }n (1)和[Zn3(tmtz)2(sip)2( )4]·2 }n (2)（tmtz = 1,4-双（1,2,4-三唑-1-基甲基）-2,3,4,5-四甲基苯，sip = 5-磺基异酞酸酯）已经合成并进行了结构表征。X射线结构分析显示，1由两个不同的、在晶体学上独立的聚合基团组成，它们相互缠绕在一起。1的第一个基团是（3,5）连接的3D阴离子网络[Zn2(tmtz)2(sip)2]n2n−，点符号为（42·6）（42·65·83）。1中的第二个基团是[Zn(tmtz)( )4]n2n+ 1D阳离子链。1中的（3,5）连接的3D阴离子网络和1D阳离子链形成了多线程阵列。2具有（3,4）连接的2D网络，点符号为（42·8）（42·6·82·1
• A polythreading array formed by a (3,5)-connected 3D anionic network and 1D cationic chains: synthesis, structure, and catalytic properties
  作者：Min Li、Shan Zhao、Yan-Fen Peng、Bao-Long Li、Hai-Yan Li

  DOI：10.1039/c3dt50641j

  日期：——

  crystallographically independent polymeric motifs polythreading together. The first motif of 1 is an unusual (3,5)-connected 3D anionic network [Cu2(tmtz)2(sip)2]. The second motif in 1 is the [Cu(tmtz)(H2O)4]n 1D cationic chain. A polythreading array formed by a (3,5)-connected 3D anionic network and 1D cationic chains. The catalytic performance exhibits that 1 is active as a catalyst for the degradation of methyl

  一种不寻常的铜（II）配位聚合物[Cu（tmtz）（H 2 O）4 ] [Cu 2（tmtz）2（sip）2 ]·4H 2 O} n（1）（tmtz = 1,4-bis通过水热反应合成（1,2,4-三唑-1-基甲基）-2,3,4,5-四甲基苯，sip = 5-磺基间苯二甲酸酯。X射线结构分析显示1由两个不同且晶体学上独立的聚合物基序多线程组成。的第一基序1是一个不寻常的（3,5） -连接的三维网络阴离子[铜2（tmtz）2（SIP）2]。在第二基序1是[铜（tmtz）（H 2 O）4 ] Ñ 1D阳离子链。由（3,5）连接的3D阴离子网络和1D阳离子链形成的多线程阵列。催化性能表明1具有活性，可降解甲基橙。还观察到热分析。
• Construction of four coordination polymers with helical character based on a flexible bis(triazole) derivative and dicarboxylate coligands
  作者：Dongqing Wu、Wei Meng、Lin Zhang、Lu Liu、Hongwei Hou、Yaoting Fan

  DOI：10.1016/j.ica.2013.06.014

  日期：2013.8

  Based on the flexible bis(triazole) derivative 1,4-bis(1,2,4-triazol-1-ylmethyl)-2,3,5,6-tetramethylbenzene (btmx) and dicarboxylate coligands, four new coordination polymers, namely, [Zn(phsa)(btmx)](n) (1), [Zn(o-phda)(btmx)](n) (2), [Cd(p-phda)(btmx)(H2O)]center dot H2O}(n) (3), and [Cd(4,4'-sdba)(btmx)](n), (4) have been synthesized under hydrothermal conditions. Structural analyses reveal that complexes 1-4 display diverse helical characters under the influence of dicarboxylates with different spacers. Complex 1 exhibits a 3D framework structure with left- and right-handed triple-stranded helices. Complex 2 features an irregular 2D grid constructed from double helices with (4(4).6(2)) topology. The point symbol of complex 3 is (6(8).8(2))(6(3)). Remarkably, it possesses a binodal (3,5)-connected 3D framework with the appearance of left- and right-handed triple-helical chains along the c axis. Moreover, left- and right-handed single-helical chains come into being through alternative arrangement of these triple-helical chains. To the best of our knowledge, coordination polymers containing triple- and single-helical chains along the same crystallographic axis are rare. The structure of complex 4 is a 2D grid comprising double helix components with (4(4).6(2)) topology. These results indicate that the spacers of dicarboxylate coligands have significant effects on the helical character and ultimate frameworks. In addition, the investigation of photoluminescence properties reveals that complexes 1-4 show different photoluminescent behaviors. (C) 2013 Elsevier B.V. All rights reserved.