1,4-bis((1H-1,2,3-triazol-1-yl)methyl)benzene | 26965-29-7

• 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((1H-1,2,3-triazol-1-yl)methyl)benzene
• 英文别名: 1,4-bis(1,2,4-triazol-1-ylmethyl)benzene；1,4-bis(triazol-1-ylmethyl)benzene；1,4-bis(triazol-1-methyl)benzene；1,4-Bis(triazol-1-ylmethyl) benzene；1-[[4-(triazol-1-ylmethyl)phenyl]methyl]triazole
• CAS: 26965-29-7
• 化学式: C₁₂H₁₂N₆
• 分子量: 240.267
• InChiKey: PCWHISLPTAKDQO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.17
• 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：

  cis-(2,2'-bipyridine)dinitratopalladium(II) 、 1,4-bis((1H-1,2,3-triazol-1-yl)methyl)benzene 以 水 、 乙腈 、 二甲基亚砜 为溶剂， 反应 5.0h， 生成 [Pd₂(2,2′-bipyridyl)₂(1,4-bis((1H-1,2,3-triazol-1-yl)methyl)benzene)₂](NO₃)₄
  参考文献：
  名称：

  三核腔内圆形螺旋及其柱状六角堆积

  摘要：

  该工作公开了一种迄今未知结构的自组装离散Pd 3 L' 3 L 3型环状螺旋结构，其中L'代表1,10-菲咯啉（phen），L代表三唑附加的双齿非螯合配体，即1 ，4-双（（1 H -1,2,3-三唑-1-基）甲基）苯。在该螺旋产物的任何给定的PdN 4配位平面中，钯（II）的配位环境由一个属于不同配体链的酚部分和两个三唑部分来描述。所有这三个结合的phen部分都独特地转向内部并留在分子的内部空腔中。因此引入了术语“内圆螺旋”。PdN 4之一通过受phen启发的分子内π堆叠将正方形平面夹在其他两个平面之间，从而形成圆柱形堆叠结构。在晶体结构中观察到称为MPP和PMM异构体的外消旋对，其中M和P代表配体L的旋向性。在晶体堆积中，三核的内倒圆环状螺旋分子排列成圆柱状的六边形堆积。给定分子的两个暴露的phen部分参与了分子间π堆积。的MPP和PMM异构体被布置在堆叠的替代方式。

  DOI：

  10.1021/acs.cgd.7b00350
• 作为试剂：
  描述：

  strontium (III) chloride hexahydrate 、 1-(carboxymethyl)-1H-1,2,4-triazole-3-carboxylic acid 、 水 在 1,4-bis((1H-1,2,3-triazol-1-yl)methyl)benzene 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 72.0h， 以79%的产率得到[Sr(cta)(H₂O)₂]_n
  参考文献：
  名称：

  Syntheses, structures, luminescent properties and antibacterial activities of seven polymers based on an asymmetric triazole dicarboxylate ligand

  摘要：

  By controlling different reaction conditions in hydrothermal process, seven metal salts react with 1-(carboxymethyl)-1H-1,2,4-triazole-3-carboxylic acid (H(2)cta), which result in seven new polymers, namely, [Cd(cta)(H2O)](n) (1), [La(cta)(OH)](n) (2), {[Pb(cta)]center dot H2O}(n) (3), [Sr(cta)(H2O)(2)](n) (4), {[Zn-2(cta)(2)(H2SO4)]center dot 2CH(3)CH(2)OH}(n) (5), [Mn(cta)(H2O)(2)](n) (6), [Ba(cta)(H2O)(3)](n) (7). Their structures have been determined by single-crystal X-ray diffraction analysis and characterized by elemental analysis, IR spectroscopy. Polymers 12 are isostructural and topological analysis revealed that 14 can be described as a sra topology with Schlafli symbol of (4(2).6(3).8). 5 possesses two-dimensional bilayer network with a total potential solvent accessible volume of 27.1%. 6 exhibits a 2D framework sql topology with Schlafli symbol of (4(4).6(2)). 7 crystallizes in the triclinic crystal system of P-1 space group and can be considered as a (3,8)-connected tfz-d topology with the point symbol of (4(3))(2)(4(6).6(18).8(4)). The luminescent properties (15, 7) are performed in the solid state. Remarkably, 3 exhibits strong fluorescent emission in the solid state at room temperature, which be attributed to the corresponding structure factors. In addition, the microbiological properties of 17 were also studied. Compared with six clinical drugs, 3 and 5 showed pretty good antibacterial activities. The higher activities of 3 and 5 may be due to the chelation effect or to the influence of the metal ion on the normal cell process. Solid state thermal analyses of some polymers indicate the formation of the metal oxide as an end product. (C) 2017 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2017.11.006

文献信息

• A Novel Coordination Polymer Based on 4,4'-(Hexauoroisopropylidene)diphthalic Acid: Synthesis, Structure and Physical Properties
  作者：Jun Wang、Jian-Qing Tao、Xiao-Juan Xu、Chun-Yun Tan

  DOI：10.5012/bkcs.2012.33.11.3827

  日期：2012.11.20

  their excellent coordination capability and flexible coordination patterns. Among them, aromatic polycarboxylic derivatives, such as 1,2,4,5-benzenetetracarboxylic acid, 4,4'-oxydiphthalic acid, 4,4'-(hexauoroisopropylidene)diphthalic acid (H4FA), and so on, have been extensively used to prepare coordination polymers. Meanwhile, the flexible 1,4-bis(1,2,4-triazol-1-ylmethyl)benzene (BTX) as an excellent

  配位聚合物的设计和合成是一个有吸引力的研究领域，不仅因为它们具有多种拓扑结构和有趣的结构，而且还因为它们在离子交换、催化、发光、磁体和气体存储等许多领域的潜在应用. 构建此类配位聚合物的主流方法是利用具有芳香族聚羧酸酯基团的有机配体，因为它们具有优异的配位能力和灵活的配位模式。其中，芳族多元羧酸衍生物，如1,2,4,5-苯四甲酸、4,4'-氧代二邻苯二甲酸、4,4'-(六氟异亚丙基)二邻苯二甲酸(H4FA)等已被广泛应用制备配位聚合物。同时，灵活的 1,4-bis(1,2, 4-三唑-1-基甲基）苯（BTX）作为一种优良的三唑衍生物，不仅具有三唑的优点，而且与对应的1,2,4-三唑配体相比，其构象也不同。其 CH2 基团的方向。考虑到这些，我们探索了Cd(II)离子、H4FA和BTX在水热条件下的自组装，得到了一种新型的3D配位聚合物：[Cd3(BTX)2(HFA)2·2H2O]n。在此，
• Сrystal structure and magnetic property of a new two-dimensional coordination polymer constructed by 1,4-bis(1,2,4-triazol-1-ylmethyl)-benzene and 4,4′-sulfonyldibenzoic acid
  作者：X. J. Xu

  DOI：10.1134/s0022476615050285

  日期：2015.9

  A two-dimensional Ni(II) complex [Ni(BTX)(SDBA)(H2O)]aEuro cent 0.29H(2)O} (n) (1) (BTX = 1,4-bis(1,2,4-triazol-1-ylmethyl)-benzene, H(2)SDBA = 4,4'-sulfonyldibenzoic acid) is synthesized and characterized using single crystal X-ray diffraction, IR spectroscopy, and elemental analysis. The single crystal X-ray diffraction analysis reveals that complex 1 is a two-dimensional polymer containing 28-membered rings based on the rhomboid subunit [Ni-2(C14H8O6S)(2)] with a Ni-Ni separation of 12.923 . The thermal stability and magnetic property of the title complex are briefly investigated.
• Self-assembly of a 3-D self-catenated framework based on [V₄O₁₂]⁴⁻ polyoxoanions and cobalt-organic polymer
  作者：Yan-Fei Qi、Kun Xu、Li-Jun Lu、Juan Li、En-Bo Wang

  DOI：10.1080/00958972.2013.777835

  日期：2013.4.1

  Reaction of a flexible ligand with cobalt salt in the presence of polyoxovanadate produces a new composite solid, Co-2(btx)(4)V4O12, 1 (btx=1,4-bis(triazol-1-ylmethyl)benzene). The structure of 1 was determined by single-crystal X-ray diffraction analysis and further characterized by elemental analysis, IR spectrum, and TG analysis. Compound 1 exhibits a 3-D 4,6-connected self-catenated net constructed from [V4O12](4-) building blocks and the Co(btx)(2)}(2+) 3-D metal-organic cation polymer. The electronic properties of 1 have been investigated.
• Polytriazoles constructed by 1, 3-dipolar cycloaddition
  申请人：Tang Benzhong

  公开号：US20080103273A1

  公开（公告）日：2008-05-01

  A process of synthesizing hyperbranched polytriazoles, linear and hyperbranched poly(aroyltriazoles) by Huisgen 1,3-dipolar cycloaddition. The polytriazoles were prepared by A 2 +B 3 method to avoid self-polymerization during monomer preparation and storage. The polymers are light emissive and can be crosslinked to generate well-resolution photopatterns upon UV irradiation. White light emission patterns were observed with fluorescence microscopy. The high molecular weight poly(aroyltriazoles) (up to 26000 Da) are prepared in high yields (up to 92.0%) and with high regioselectivity (the ratio of 1,4- and 1,5-disubstituted 1,2,3-triazole is equal or larger than 9:1). The polycyclomerization is not moisture or oxygen sensitive and therefore, no special precautions are necessary before and during the reaction. All the polymers are processible, easily film-forming, and curable into thermosets by heat or irradiation. The hyperbranched polymers can act as fluorescent adhesive materials with large tensile strength.
• US7772358B2
  申请人：——

  公开号：US7772358B2

  公开（公告）日：2010-08-10