4,4'-bis(1,2,4-triazol-1-ylmethyl)biphenyl | 960041-69-4

• 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: 4,4'-bis(1,2,4-triazol-1-ylmethyl)biphenyl
• 英文别名: 4,4'-bis((1H-1,2,4-triazol-1-yl)methyl)biphenyl；4,4'-Bis((1H-1,2,4-triazol-1-yl)methyl)-1,1'-biphenyl；1-[[4-[4-(1,2,4-triazol-1-ylmethyl)phenyl]phenyl]methyl]-1,2,4-triazole
• CAS: 960041-69-4
• 化学式: C₁₈H₁₆N₆
• 分子量: 316.365
• InChiKey: FRXUKLVVIFSLNO-UHFFFAOYSA-N

物化性质

• 熔点：
  154-158 °C
• 沸点：
  594.5±60.0 °C(Predicted)
• 密度：
  1.27±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  24
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.11
• 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：

  4,4'-bis(1,2,4-triazol-1-ylmethyl)biphenyl 以 甲醇 、 乙醇 、 水 为溶剂， 生成 ((phenylfluorone)0.027*[Zn(fumarate)(4,4'-bis(1,2,4-triazol-1-ylmethyl)biphenyl)]*3H2O)n
  参考文献：
  名称：

  Synthesis, structures and guest molecules adsorption of Zn(II)-bridged metal-organic polymers

  摘要：

  Two coordination polymers {[Zn(fum)(btmb)]center dot 3H(2)O}(n) (1) and {[Zn(2,3-pzdc)(tttmb)(H2O)(2)]center dot H2O}(n) (2) (H(2)fum = fumaric acid, btmb = 4.4'-bis(1,2,4-triazol-1-ylmethyl)biphenyl, 2,3-H(2)pzdc = 2,3-pyrazinedicarboxylic acid, tttmb = 1,3,5-tris(triazol-1-ylmethyl)-2,4,6-trimethylbenzene) have been synthesized and structurally characterized. Compound 1 is a two-fold interpenetrating 2D network; significant pi-pi interactions in adjacent layers finally result in a 3D supramolecular framework with 14.167 x 7.831 angstrom channel. Compound 2 is a 1D chain. The guest molecules (fluorescein and phenylfluorone) adsorption behaviors of 1 and luminescent properties oil and 2 have been investigated. Published by Elsevier B.V.

  DOI：

  10.1016/j.inoche.2012.02.031
• 作为产物：
  描述：

  1H-1,2,4-三唑 、 联苯二氯苄 在 potassium carbonate 、 potassium iodide 作用下， 以 丙酮 为溶剂， 反应 10.5h， 以54%的产率得到4,4'-bis(1,2,4-triazol-1-ylmethyl)biphenyl
  参考文献：
  名称：

  两个新的基于 Keggin 型多金属氧酸盐的纠缠配位网络，由带有悬臂的金属-有机链构成

  摘要：

  摘要 化学式为 [Mn2(H2O)2(BBPTZ)5][SiW12O40] (1) 和 [Ni2(H2O)2(BBPTZ)5][SiMo12O40]·6H2O 的两种新型多金属氧酸盐 (POM) 纠缠配位网络(2) (BBPTZ = 4.4'-bis(1,2,4-triazol-1-ylmethyl)biphenyl)，在水热反应系统中制备。通过元素分析、红外光谱、热重分析、粉末 X 射线衍射和单晶 X 射线衍射对化合物 1-2 进行了表征。在化合物 1 中，悬臂在相邻 2-D 层的四边形窗口中穿线，从而导致罕见的 2-D → 3-D 多线程主题。化合物 2 表现出罕见的 2-D → 3-D 拉链闭合图案。以亚甲蓝 (MB) 的降解为模型，研究了化合物 1-2 的光催化活性。

  DOI：

  10.1016/j.inoche.2016.08.013

文献信息

• Ionothermal Synthesis of Five Keggin-Type Polyoxometalate-Based Metal–Organic Frameworks
  作者：Kun Lu、Alex Liebman Peláez、Luo-cheng Wu、Yu Cao、Chen-hui Zhu、Hai Fu

  DOI：10.1021/acs.inorgchem.8b02277

  日期：2019.2.4

  constructed by two-dimensional (2D) interpenetrating polyrotaxane layers with unique cyclophanes (tetra-cationic viologen macrocycle cyclobis(paraquat-p-phenylene) (CBPQT4+ system)), resulting in an H-bonded 3D supermolecule, and is the first synthesis of self-assembled cyclophane-PMOFs under ionothermal conditions. 2 shows a novel 2D three-fold interpenetrating polyrotaxane host and guest network

  五个独特的Keggin型多金属氧酸盐（POM）基金属有机框架（POMF），即[CH 2 L1] 2 [（CuL1 2）（PMo VI 9 Mo V 3 O 40）]（1），[Zn 0.5（ H 2 O）（L1）] [Zn（L1）1.5 Cl] [H 2 L1] 0.5 [PMo 12 O 40 ]·1.25H 2 O（2），（TBA）[Cu（H 2 O）2 L1 2 ] [PMo 12 O 40 ]（3），[Cu 2（H 2 O）2（L1）3 ] [PM VI 11 Mo V O 40 ]（4），（H 2 L2）0.5 [（Cu I L2）2（PMo 12 O 40）]·H 2 O（5），L1 = 4,4'-双（（1H-1,2,4-三唑-1-基）甲基）-联苯，L2 = 1,4-双（（1H-1,2,4-三唑- 1-离子基）甲基）-苯是在离子热条件下合成的。根据单晶数据，1展示了一种新型的机械
• An unusual polyoxometalate-encapsulating 3D polyrotaxane framework formed by molecular squares threading on a twofold interpenetrated diamondoid skeleton
  作者：Xin-Long Wang、Chao Qin、En-Bo Wang、Zhong-Min Su

  DOI：10.1039/b709563e

  日期：——

  Threading molecular square “beads” on a twofold interpenetrated diamondoid skeleton gives a new type of 3D metal–organic polyrotaxane framework with large channels, in which nanosized Keggin anions as guests are encapsulated for the first time.

  双穿插金刚烷骨架上穿线分子方块“珠子”得到了一类新的三维金属-有机聚轮烷框架，其具有大孔道，首次在这些孔道中封装了纳米尺寸的Keggin阴离子客体。
• A series of 1D, 2D and 3D coordination polymers based on a 5-(benzonic-4-ylmethoxy)isophthalic acid: syntheses, structures and photoluminescence
  作者：Ying-Ying Liu、Jing Li、Jian-Fang Ma、Ji-Cheng Ma、Jin Yang

  DOI：10.1039/c1ce05639e

  日期：——

  Seven new coordination polymers, namely, [Zn(HL)(H2O)] (1), [Zn(HL)(phen)]·1.5H2O (2), [Zn(HL)(L1)] (3), [Zn2(HL)2(L2)2]·2H2O (4), [Zn(HL)(L3)0.5] (5), [Zn(HL)(L4)] (6) and [Cu2(L)(OH)(H2O)]·0.5H2O (7) (H3L = 5-(benzonic-4-ylmethoxy) isophthalic acid, phen = 1,10-phenathroline, L1 = 1,2-bis(1,2,4-triazole-1-yl)ethane, L2 = 1,3-bis(1,2,4-triazole-1-yl)propane, L3 = 1,6-bis(1,2,4-triazole-1-yl)hexane and L4 = 4,4′-bis(1,2,4-triazole-1-ylmethyl)biphenyl), have been hydrothermally synthesized and characterized by single-crystal X-ray diffraction. In compounds 1–6, the H3L ligand is partially deprotonated to form HL2−, while it is completely deprotonated in 7. Compound 1 shows a 3D framework with 4-connected (42·7·83)2 topology. Compound 2 displays a 1D ribbon structure. The neighboring ribbons are further linked by hydrogen-bonding interactions to form a 3D supramolecular architecture. Compound 3 exhibits a 2D undulated sheet. The sheets are further penetrated into each other to give rise to a 3D polycatenation structure. Compound 4 displays a 2D supramolecular layer structure. Compound 5 shows a 3D (3,6)-connected (4·8)(4·82·103) net. Compound 6 reveals a 3D four-fold interpenetrating diamondoid architecture. Compound 7 displays a (3,8)-connected (4·62)(44·68·812·104) topology. These compounds have been characterized by powder X-ray diffractions (PXRD) and thermal gravimetric analyses (TGA). In addition, the photoluminescent behaviours of 1–6 have been investigated in detail.

  七种新的配位聚合物，即[Zn(HL)(H2O)] (1)、[Zn(HL)(phen)]·1.5H2O (2)、[Zn(HL)(L1)] (3)、[Zn2(HL)2(L2)2]·2H2O (4)、[Zn(HL)(L3)0.5] (5)、[Zn(HL)(L4)] (6) 和 [Cu2(L)(OH)(H2O)]·0.5H2O (7) (H3L = 5-(苯甲酰-4-基甲氧基)间苯二甲酸，phen = 1,10-菲咯啉，L1 = 1,2-双(1,2,4-三唑-1-基)乙烷，L2 = 1,3-双(1,2,4-三唑-1-基)丙烷，L3 = 1,6-双(1,2,4-三唑-1-基)己烷和 L4 = 4,4'-双(1,2,4-三唑-1-基甲基)联苯)，通过水热合成法制备，并通过单晶 X 射线衍射进行了表征。在化合物 1-6 中，H3L 配体部分去质子化形成 HL2-，而在化合物 7 中完全去质子化。化合物 1 显示出一个具有 4 连接 (42·7·83)2 拓扑结构的 3D 框架。化合物 2 展示了一个 1D 带状结构，相邻带状结构通过氢键相互作用进一步连接，形成一个 3D 超分子结构。化合物 3 展示了一个 2D 波状片层结构，片层之间进一步相互穿插，形成一个 3D 多链结构。化合物 4 展示了一个 2D 超分子层结构。化合物 5 显示出一个 3D (3,6)-连接 (4·8)(4·82·103) 网络。化合物 6 揭示了一个 3D 四重穿插金刚石结构。化合物 7 展示了一个 (3,8)-连接 (4·62)(44·68·812·104) 拓扑结构。这些化合物通过粉末 X 射线衍射 (PXRD) 和热重分析 (TGA) 进行了表征。此外，化合物 1-6 的光致发光行为也进行了详细研究。
• Structural Investigation of Coordination Polymers Constructed from a Conformational Bis‐triazole Ligand and V‐Shaped Bridging Carboxylate Anions: Hydrothermal Syntheses, Crystal Structures, and Property Studies
  作者：Chen Ren、Ping Liu、Yao‐Yu Wang、Wen‐Huan Huang、Qi‐Zhen Shi

  DOI：10.1002/ejic.201000731

  日期：2010.12

  conformational bis-triazole ligand 4,4'-bis[(1,2,4-triazol-1-yl)methyl]biphenyl (btmb, 1), was successfully synthesized, and seven new coordination polymers, namely M(oba)-(btmb)} n [M = Cd 2+ (2), Co 2+ (3), Ni 2+ (4), and Zn 2+ (5)], M(sdba)(btmb)} n [M = Co 2+ (6) and Cd 2+ (7)], and [Cu(H 2 odpa)(btmb)(H2O)]·2H20} n (8), (H 2 oba = 4,4'-oxydibenzoic acid, H 2 sdba = 4,4'-sulfonyldibenzoic acid,

  构象双三唑配体4,4'-双[(1,2,4-triazol-1-yl)methyl]联苯(btmb, 1) 成功合成，7种新型配位聚合物M(oba )-(btmb)} n [M = Cd 2+ (2), Co 2+ (3), Ni 2+ (4), and Zn 2+ (5)], M(sdba)(btmb)} n [M = Co 2+ (6) 和 Cd 2+ (7)], 和 [Cu(H 2 odpa)(btmb)(H2O)]·2H20} n (8), (H 2 oba = 4,4 '-oxydibenzoic acid, H 2 sdba = 4,4'-sulfonyldibenzoic acid, and H 4 odpa = 4,4'-oxydiphthalic acid), 已经通过使用 btmb 配体合成, 并对聚合物进行了详细的表征。复合物 2-4 是具有二维层结构的同构结构，可以描述为具有
• [EN] METAL-ORGANIC MATERIALS (MOMS) FOR ADSORPTION OF POLARIZABLE GASES AND METHODS OF USING MOMS<br/>[FR] MATÉRIAUX ORGANOMÉTALLIQUES (MOM) POUR L'ADSORPTION DE GAZ POLARISABLES ET LEURS PROCÉDÉS D'UTILISATION
  申请人：UNIV SOUTH FLORIDA

  公开号：WO2014074378A1

  公开（公告）日：2014-05-15

  Embodiments of the present disclosure provide for multi-component metal- organic materials (MOMs), systems including the MOM, systems for separating components in a gas, methods of separating polarizable gases from a gas mixture, and the like.

  本公开的实施例提供了多组分金属有机材料（MOMs），包括MOM的系统，用于分离气体中组分的系统，从气体混合物中分离极化气体的方法等。