1,3,5-tris(triazol-1-ylmethyl)-2,4,6-trimethylbenzene

• 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(triazol-1-ylmethyl)-2,4,6-trimethylbenzene
• 英文别名: 1,3,5-Tris(triazol-1-ylmethyl)-2,4,6-trimethylbenzene；1-[[2,4,6-trimethyl-3,5-bis(triazol-1-ylmethyl)phenyl]methyl]triazole
• 化学式: C₁₈H₂₁N₉
• 分子量: 363.425
• InChiKey: BWKZZJVFDMAVSR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  27
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.33
• 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：

  iron(II) chloride tetrahydrate 、 1,3,5-tris(triazol-1-ylmethyl)-2,4,6-trimethylbenzene 在 potassium thioacyanate 作用下， 以 水 、 乙腈 为溶剂， 反应 72.0h， 以30%的产率得到{[Fe₃(tttmb)₂(H₂O)₆(Cl)₆]·5H₂O}_n
  参考文献：
  名称：

  稳定的基于Fe（ii）的配位聚合物：均相偶联反应中的合成，结构多样性和催化应用†

  摘要：

  在这里，我们合成了三种新的稳定的Fe（II）配位聚合物，{[Fe 3（tttmb）4（OH）（NCS）5 ] 2CH 3 OH·H 2 O} n（1），{[Fe 3（tttmb）4（NCS）6 ]·3H 2 O} n（2）和{[Fe 3（tttmb）2 Cl 6（H 2 O）6 ]·5H 2 O} n（3）（tttmb = 1,3,5-三（三唑-1-基甲基）-2,4,6-三甲基-苯）在KSCN和溶剂的调节下，并将它们用作芳基均偶联反应中的绿色非均相催化剂。催化实验表明，1和3在空气环境下对芳基均偶联反应表现出很高的效率，收率高达80％。此外，晶体结构分析表明，1和3已配位的水分子和OH - ，这是很容易地从反应过程中的主体材料除去。相反，在反应过程中没有在2中产生不饱和配位点。另外，变磁磁化率1-3证明了这些聚合物的金属中心是二价的，并且它们都显示出弱的反铁磁效应。

  DOI：

  10.1039/c8dt01839a

文献信息

• A precise hexagonal octadecanuclear Ag macrocycle with significant luminescent properties
  作者：Jin Jin、Weiyin Wang、Yanhua Liu、Hongwei Hou、Yaoting Fan

  DOI：10.1039/c1cc12142a

  日期：——

  The first hexagonal octadecanuclear Ag macrocycle [Ag18(TTTMB)12](NO3)18·30H2O has been hydrothermally synthesized. The outside and inner diameters of the unprecedented architecture are about 27.72(13) Å and 15.37(7) Å, respectively. This complex displays a huge increase in the intensity and lifetime of phosphorescence with decreasing temperature.

  我们通过水热法合成了第一个六边形十八核银大环 [Ag18(TTTMB)12](NO3)18-30H2O。这种前所未有的结构的外径和内径分别约为 27.72(13) Å 和 15.37(7) Å。随着温度的降低，该复合物的磷光强度和寿命都有大幅提高。
• Coordination polymers based on a flexible tripodal ligand and aromatic dicarboxylate anions: Syntheses, structures and fluorescent properties
  作者：Wei Meng、Yanhua Liu、Ying Zhao、Hongwei Hou、Yaoting Fan

  DOI：10.1016/j.poly.2012.06.038

  日期：2013.3

  Four novel coordination polymers, based on 1,3,5-tris(triazol-1-ylmethyl)-2,4,6-trimethylbenzene (TITMB), namely, [Zn-3(TITMB)(2)(m-bdic)(2)(SO4)(H2O)(2)]center dot 2H(2)O}(n) (1), [Zn-6(TTTMB)(4)(P-bdic)(6)(H2O)(12)]center dot H2O}(n) (2), [Ni(TTTMB)(oba)]center dot 2H(2)O}(n) (3) and [Ni-3(TTTMB)(2)(p-bdic)(3)(H2O)(6)](n) (4) (m-H(2)bdic = 1,3-benzenedicarboxylic acid, p-H(2)bdic = 1,4-benzenedicarboxylic acid, H(2)oba = 4,4'-oxybis(benzoic acid)) have been synthesized by the reactions of TTTMB with Zn(II) salts and Ni(II) salts in the presence of different aromatic dicarboxylate anions under appropriate reaction conditions. The structure determination reveals that 1 is a very intricate 3D network with point symbol of (6(2).10)(3.6.7)(3(2).4.6(2).7)(3(2).4.10(2),11(2)12(3)), while 2 is a 1D chain with dinuclear Zn(II) units. Complex 3 exhibits a 2-fold interpenetrated architecture with point symbol of (4.6(6).8(3))(4.6(2)), while 4 presents a 1D zigzag chain with dinuclear Ni(II) units. Moreover, the investigation of photoluminescence properties of 1 and 2 reveals that they show different fluorescent behaviors. (C) 2012 Elsevier Ltd. All rights reserved.
• Two organic–inorganic hybrids constructed from metal/ttb segments and different polyoxometalates: Syntheses, structures and multifunctional catalytic properties
  作者：Xiang Wang、Lin Lin、Xiaowen Yu、Jiahuan Liu、Hongyan Lin、Guocheng Liu

  DOI：10.1016/j.poly.2017.11.023

  日期：2018.2

  Two organic-ihorganic hybrids self-assembled from metal/ttb segments and polyoxometalates, [Co-2(ttb)(2)(H2O)(4)(H2P2M8O62)]center dot 10H(2)O (1) and [Cu-2(ttb)(2)(H2O)(4)](SiM2O40) (2) [ttb = 1,3,5-tris(triazol-1-ylmethyl)-2,4,6-trimethyl benzene], have been synthesized hydrothermally. Both 1 and 2 have 3D supramolecular structures, where the combination of the ttb ligands and metal centers gives two kinds of metal-organic segments, namely, a 1D metal-organic belt [Cu-2(ttb)(2)(H2O)(4)](n) (4n+) in 1, a 2D cationic layear [Cu-2(ttb)(2)(H2O)(4)](n) (4n+) in 2. Interestingly, compound 1 displays multifunctional catalytic properties, including not only the electrocatalytic reduction for hydrogen peroxide, but also the electrocatalytic oxidation for ascorbic acid, as well as the photocatalytic degradation of MB under UV irradiation. (C) 2017 Elsevier Ltd. All rights reserved.
• Stable Fe(<scp>ii</scp>)-based coordination polymers: synthesis, structural diversity and catalytic applications in homo-coupling reactions
  作者：Qiong Wu、Yanbing Han、Zhichao Shao、Junxia Li、Hongwei Hou

  DOI：10.1039/c8dt01839a

  日期：——

  Herein, we synthesize three new stable Fe(II) coordination polymers, [Fe3(tttmb)4(OH)(NCS)5]2CH3OH·H2O}n (1), [Fe3(tttmb)4(NCS)6]·3H2O}n (2), and [Fe3(tttmb)2Cl6(H2O)6]·5H2O}n (3) (tttmb = 1,3,5-tris(triazole-1-ylmethyl)-2,4,6-trimethyl-benzene) under the regulation of KSCN and solvents and use them as green heterogeneous catalysts in aryl homo-coupling reactions. The catalytic experiments show

  在这里，我们合成了三种新的稳定的Fe（II）配位聚合物，[Fe 3（tttmb）4（OH）（NCS）5 ] 2CH 3 OH·H 2 O} n（1），[Fe 3（tttmb）4（NCS）6 ]·3H 2 O} n（2）和[Fe 3（tttmb）2 Cl 6（H 2 O）6 ]·5H 2 O} n（3）（tttmb = 1,3,5-三（三唑-1-基甲基）-2,4,6-三甲基-苯）在KSCN和溶剂的调节下，并将它们用作芳基均偶联反应中的绿色非均相催化剂。催化实验表明，1和3在空气环境下对芳基均偶联反应表现出很高的效率，收率高达80％。此外，晶体结构分析表明，1和3已配位的水分子和OH - ，这是很容易地从反应过程中的主体材料除去。相反，在反应过程中没有在2中产生不饱和配位点。另外，变磁磁化率1-3证明了这些聚合物的金属中心是二价的，并且它们都显示出弱的反铁磁效应。