1,3,5-tris((1H-1,2,4-triazol-1-yl)methyl)benzene | 1215005-04-1

• 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: 1,3,5-tris((1H-1,2,4-triazol-1-yl)methyl)benzene
• 英文别名: ttmb；1,3,5-tris(1,2,4-triazol-1-ylmethyl)benzene；1-[[3,5-Bis(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-1,2,4-triazole；1-[[3,5-bis(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-1,2,4-triazole
• CAS: 1215005-04-1
• 化学式: C₁₅H₁₅N₉
• 分子量: 321.344
• InChiKey: KDQLKUSBZUHGBS-UHFFFAOYSA-N

物化性质

• 沸点：
  664.9±65.0 °C(Predicted)
• 密度：
  1.45±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  24
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  92.1
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  copper(II) choride dihydrate 、 1,3,5-tris((1H-1,2,4-triazol-1-yl)methyl)benzene 以 甲醇 为溶剂， 以44%的产率得到([Cu3Cl6(1,3,5-tris(1,2,4-triazol-1-ylmethyl)benzene)4]*6H2O)(n)
  参考文献：
  名称：

  Structure analysis and catalytic property of a microporous framework based on a flexible tripodal ligand with novel conformations

  摘要：

  A microporous metal-organic framework {[Cu(3)Cl(6)(ttmb)(4).]center dot 6H(2)O}(n) (1) (ttmb = 1,3,5-tris(1,2,4-triazol-1-ylmethyl)-benzene) with tetranodal (3,4)-connected topological type was prepared by the self-assembly reaction of the flexible tripodal ligand ttmb with CuCl(2)center dot 2H(2)O. The ligand exhibits two infrequent coordination conformations in complex 1, and the framework has a large pore volume (remove the solvent molecules) of 1781.6 angstrom(3) (36.3% of the total). The test of 1 as the catalyst in the oxidative coupling reaction of 2,6-dimethylphenol indicates that it is catalytically active by showing high conversion of DMP under the optimized reaction condition. (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2011.04.027

文献信息

• Syntheses, structures and fluorescence properties of two novel polymers based on a flexible tripodal ligand 1,3,5-tris((1H-1,2,4-triazol-1-yl)methyl)benzene
  作者：Xianju Shi、Donghan Tan、Yaru Liu、Guorui Liang、Xiao Zhang

  DOI：10.1016/j.molstruc.2014.05.058

  日期：2014.9

  Two novel d(10) metal-based coordination polymers named, [Cd(SCN)(2)(ttmb)](n)(polymer 1), [Ag-4(H(2)btec)(2) (H(4)btec)(ttmb)(2)center dot 5H(2)O}(n) (polymer 2) (H(4)betc = 1,2,4,5-benzenetetracarboxylic acid, tmb = 1,3,5-tris((1H-1,2,4-triazol-1-yOmethyl)benzene), were synthesized by combining flexible tripodal ligand, ttmb and two different auxiliary ligands (potassium rhodanide and H(4)btec), via hydrothermal reactions and structurally characterized. Single-crystal X-ray diffraction analyses reveal that polymer 1 possesses a two dimensional (2D) structure with a binodal (3,4)-connected (4(2) center dot 6)(4(2) center dot 6(3) center dot 8) topological type; whereas, polymer 2 exhibits a three dimensional (3D) supramolecular structure as a result of hydrogen-bonding interactions among the neighboring 2D grid layers. The tripodal ligand in both polymer structures shows two different coordination models indicating, its coordination diversity. The solid-state photoluminescence properties indicate that Polymer 1 shows noticeable fluorescent emissions upon excitation in comparison to that of polymer 2. (C) 2014 Elsevier B.V. All rights reserved.
• Syntheses and physical properties of three-dimensional coordination polymers with the flexible tripodal ligand 1,3,5-tris(1,2,4-triazol-1-ylmethyl)benzene
  作者：Xiu-Ju Yin、Xin-Hui Zhou、Zhi-Guo Gu、Jing-Lin Zuo、Xiao-Zeng You

  DOI：10.1016/j.inoche.2009.04.012

  日期：2009.6

  Two 3D organic-inorganic hybrid coordination polymers, [M-2(ttmb)(2)(SO4)(2)(H2O)(2)] center dot 7H(2)O (M =Cd, 1; M = Mn. 2: ttmb = 1,3,5-tris(1,2,4-triazol-1-ylmethyl)benzene), have been synthesized and structurally characterized. They are isostructural and possess a 3D architecture fused from 2D (4,4) M(ttmb) networks and MSO4 chains by sharing "hinge" metal atoms. The thermal properties of 1 and 2, luminescent property of 1 as well as magnetic property of 2 have been investigated. (C) 2009 Elsevier B.V. All rights reserved.
• Structure analysis and catalytic property of a microporous framework based on a flexible tripodal ligand with novel conformations
  作者：Xianju Shi、Xinhai Zhang、Xiaoxia Li、Hongwei Hou、Yaoting Fan

  DOI：10.1016/j.molstruc.2011.04.027

  日期：2011.6

  A microporous metal-organic framework [Cu(3)Cl(6)(ttmb)(4).]center dot 6H(2)O}(n) (1) (ttmb = 1,3,5-tris(1,2,4-triazol-1-ylmethyl)-benzene) with tetranodal (3,4)-connected topological type was prepared by the self-assembly reaction of the flexible tripodal ligand ttmb with CuCl(2)center dot 2H(2)O. The ligand exhibits two infrequent coordination conformations in complex 1, and the framework has a large pore volume (remove the solvent molecules) of 1781.6 angstrom(3) (36.3% of the total). The test of 1 as the catalyst in the oxidative coupling reaction of 2,6-dimethylphenol indicates that it is catalytically active by showing high conversion of DMP under the optimized reaction condition. (C) 2011 Elsevier B.V. All rights reserved.