1,4-bis(1,2,4-triazol-1-yl)butane | 345952-55-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1,4-bis(1,2,4-triazol-1-yl)butane
• 英文别名: 1,4-bis(1,2,4-triazol-1-y1)butane；1,4-di(1H-1,2,4-triazol-1-yl)butane；1,4-Bis(1H-1,2,4-triazole-1-yl)butane；1-[4-(1,2,4-triazol-1-yl)butyl]-1,2,4-triazole
• CAS: 345952-55-8
• 化学式: C₈H₁₂N₆
• 分子量: 192.223
• InChiKey: QRCAYFMZDKAPGL-UHFFFAOYSA-N

物化性质

• 沸点：
  421.8±55.0 °C(Predicted)
• 密度：
  1.32±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  14
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 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：

  1,4-bis(1,2,4-triazol-1-yl)butane 以 乙醇 、 二氯甲烷 、 水 为溶剂， 生成 [[Mn(1,4-bis(1,2,4-triazol-1-yl)butane)2(H₂O)2](NO₃)2(H₂O)2]n
  参考文献：
  名称：

  Syntheses and crystal structures of four manganese coordination polymers with 1,4-bis(1,2,4-triazol-1-yl)butane

  摘要：

  Four new mangenese coordination polymers {[Mn(btb)(H2O)(4)](NO3)(2)}(n) (1), [Mn(btb)(2)(NO3)(2)](n) (2), {[Mn(btb)(2)(H2O)(2)](NO3)(2)(H2O)(2)}(n) (3) and [Mn(btb)(H2O)(2)(N-3)(2)](n) (4) were synthesized in different solvent systems using the flexible ligand 1,4-bis(1,2,4-triazol-1-yl)butane (btb). The X-ray diffraction analysis shows that 1 and 4 are one-dimensional chain structures, while 2 and 3 form planar and undulating two-dimensional (4,4) networks, respectively. 1 and 4 further form three-dimensional hydrogen bonding networks via hydrogen bonding interactions. The bib ligands exhibit the completely anti conformation in 1, 2 and 4, and the anti-anti-gauche conformation in 3. The thermogravimetric properties of the four coordination polymers were investigated. 3 can convert to 2 by dehydration which is shown by XPRD measurement. 4 can convert to [Mn(btb)(N-3)(2)] by dehydration and this is confirmed by IR of the azide ligand. (c) 2006 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2006.03.082
• 作为产物：
  描述：

  1,4-Bis-<4-amino-1,2,4-4H-triazolio-(1)>-butandibromid 在 盐酸 、 sodium nitrite 作用下， 以 水 为溶剂， 反应 1.0h， 以92%的产率得到1,4-bis(1,2,4-triazol-1-yl)butane
  参考文献：
  名称：

  Gromova; Barmin; Korolev, Russian Journal of Organic Chemistry, 2000, vol. 36, # 8, p. 1204 - 1206

  摘要：

  DOI：

文献信息

• Solvent–Free Synthesis of Some Triazole-Based Bis(N-Heterocyclic Carbene) Ligands
  作者：Jianfeng Zhao、Long Yang、Lingqiao Zhang、Jin Guo、Yanhui Shi、Guangsheng Pang、Changsheng Cao

  DOI：10.3184/174751911x13220695999324

  日期：2011.12

  Two series of bistriazolium dibromides with different alkyl bridged length (n = 2–4) were synthesised through a simple solvent-free method. Six of these compounds were prepared from the reaction of 1-R-1H-1,2,4-triazole with dibromoalkane in moderate to excellent yield (45–98%). However, the other six compounds were prepared from the reaction of alkyl bridged bistriazole with bromoalkane in 55–99%

  通过简单的无溶剂方法合成了两个系列的具有不同烷基桥连长度（n = 2-4）的双三唑鎓二溴化物。其中六种化合物是由 1-R-1H-1,2,4-三唑与二溴烷烃反应制备的，产率中等至极好（45-98%）。然而，其他六种化合物是由烷基桥连双三唑与溴代烷烃以 55-99% 的产率反应制备的。所有化合物都是新的，并通过 IR、NMR 和元素分析进行​​了充分表征。
• Retracted: A new porous Co(II)‐coordination polymer for the chemical fixation of CO ₂ and treatment effect against tuberculosis by reducing the <i>pckA</i> expression in <scp> <i>Mycobacterium tuberculosis</i> </scp>
  作者：Li‐Ping Yan、Qin Sun、Zhi‐Bin Liu、Min Wu、Yan‐Ping Ge、Qing Zhang

  DOI：10.1002/aoc.5908

  日期：2020.11

  method, a novel coordination polymer containing Co(II) of [Co(ditb)(tdc)]n·5nH2O (1) was prepared by reacting rigid 2,5‐thiophenedicarboxylic acid with flexible 1,4‐di(1H‐1,2,4‐triazol‐1‐yl)butane using the slow evaporation method. Active samples of 1 (1a for short) showed good stability and the ability to capture CO2. It can be used as a potential heterogeneous catalyst for chemical immobilization

  使用混合配体方法，通过使刚性的2,5-噻吩二羧酸与柔性的1,4-二氟乙烷反应，制备了一种新型的含有[Co（ditb）（tdc）] n ·5 n H 2 O（1）的Co（II）的配位聚合物。，4-二（1H-1,2,4-三唑-1-基）丁烷采用缓慢蒸发法。活性样品1（简称1a）显示出良好的稳定性和捕获CO 2的能力。它可以用作潜在的非均相催化剂，用于化学固定环氧化物和CO 2形成环状碳酸酯。另外，催化剂1a在重复使用四次后仍保持其原始结构。对其生物学特性进行了评估体内和体外结核分枝杆菌（M.TB）。首先，通过灭菌曲线测量化合物对M.TB的杀菌能力。然后，使用逆转录聚合酶链反应检测与M.TB生存有关的pckA基因的表达。对于体内研究，进行了菌落形成单位测定，以评估该化合物的抗菌作用，并且酶联免疫吸附测定法用于体内炎症细胞因子的测定。 通过分子对接模拟，确认复合物中的所有三种极性原子都有与蛋白质相互作用的机会。
• Cu(<scp>ii</scp>)/Ni(<scp>ii</scp>)–organic frameworks constructed from the homometallic clusters by 5-(2-carboxyphenoxy)isophthalic acid and N-ligand: synthesis, structures and visible light-driven photocatalytic properties
  作者：Qi-Wei Xu、Qiu-Shuang Wang、Shan-Shan Li、Xia Li

  DOI：10.1039/c9ra01496a

  日期：——

  clusters [Ni4(μ3-OH)2] SBUs, which are bridged with Ni(1)O4N2 and Ni(2)O6 through O-cpia ligands. It is worth noting that 4, with a 3D structure, is generated from the binuclear clusters [Ni2(COO)4] (Ni(1)O4N) and mononuclear metal Ni(2) cores (Ni(2)O4N2) as SBUs, and bridged by O-cpia/bpy mixed ligands. Meanwhile, the degradation of dyes (RhB) by the complexes under visible light irradiation was studied

  四种新型配合物，即Cu 2 (O-cpia)(btb) 0.5 ·(OH) ( 1 )、Cu 3 (O-cpia) 2 (bpy) 2 ( 2 )、[Ni 2 (O-cpia)( phen)·(OH)·H 2 O]·2H 2 O ( 3 ) 和 [Ni 3 (O-cpia) 2 (bpy) 3 ·2H 2 O]·2H 2 O ( 4) (O-cpia = 5-(2-carboxyphenoxy)isophthalic acid, btb = 1,4-bis(1,2,4-triazol-1-yl)butane, bpy = 4,4'-bipyridine) 成功分离在水热条件下。这四种配合物表现出不同的结构，由不同的同金属簇构成，从单核、双核到四核金属 ( II ) 多面体作为第二构建单元 (SBU)。图1具有由四核簇[Cu 4 (μ 3 -OH) 2 ] 作为SBUs构成的3D框架，通过O
• Ligands directed versatile cadmium-bis(triazole) metal–organic fragments to generate three new two dimensional complexes based on polymolybdenum phosphate
  作者：Xiu-Li Wang、Jing-Jing Cao、Guo-Cheng Liu、Hong-Yan Lin、Ai-Xiang Tian

  DOI：10.1016/j.ica.2013.03.029

  日期：2013.6

  which are extended into different 2D networks by [Cd(P4Mo6)2] dimers. The –(CH2)n– spacers of the bis(triazole)-based ligands play an important role in the formation of multi-nuclear CdII subunits and the ultimate 3D supramolecular frameworks. Moreover, the thermal stabilities, electrochemical properties of the title compounds have been investigated in this paper.

  摘要三种新型的二维（2D）聚磷酸钼基镉配合物，[Cd2.5（btp）2（H2O）3] [Cd0.5（PO4）（HPO4）3（MoO2）6（OH）3]·2 （1），[Cd（Hbtb）（ ）] 4 [Cd（PO4）4（HPO4）4（ ）12（OH）6]·6 （2）和[Cd（ ）2] [Cd（ ） ）（Hbth）] 2 [Cd0.5（ ）（bth）] 2 [Cd（PO4）4（HPO4）2（H2PO4）2（ ）12（OH）6]·4 （3）（btp = 1 ，3-双（1,2,4-三唑-1-基）丙烷，btb = 1,4-双（1,2,4-三唑-1-基）丁烷，bth = 1,6-双（1 （2，4-三唑-1-基）己烷）已经合成并通过元素分析，IR，TG和单晶X射线衍射表征。单晶X射线衍射分析表明，所有化合物均基于聚磷酸钼[P4Mo6O28（OH）3] 9-（[P4M
• Hydroxyl- and chloro-bridges as “structural assistants” in the construction of two new Keggin-based 3D frameworks
  作者：AiXiang Tian、XiaoLing Lin、XiaoJing Liu、Jun Ying、XiuLi Wang

  DOI：10.1039/c3ra41567h

  日期：——

  Two new Keggin-based three dimensional (3D) frameworks, [CuI4(btb)2(μ-OH)(PW12O40)] (1) and [CuII2(btb)4(μ-Cl)(PW12O40)]·3H2O (2) (btb = 1,4-bis(1,2,4-triazol-1-y1)butane), were synthesized and structurally characterized. In compound 1, the metal–organic subunit is a wave-like 2D layer consisting of ellipse-shaped tetra-nuclear CuI cycles. Furthermore, these layers are bridged by hydroxyl groups through Cu–(OH)–Cu bonds, resulting in the construction of a 3D porous metal–organic framework (MOF). The Keggin anions, acting as inorganic templates, are embedded in the channels of the structure. In compound 2, a 2D CuII–btb layer exists that incorporates quadrangular tetra-nuclear CuII cycles. The two adjacent layers covalently capture the Keggin anions between them to construct a hamburger-like subunit. Furthermore, these subunits are linked by chloro-bridges (Cu–Cl–Cu), which build a 3D framework with channels. The big voids in the channels led to a two-fold interpenetrating structure for compound 2. Additionally, the photocatalytic properties and electrochemical behavior of compounds 1 and 2 have been investigated.

  我们合成了两种新的基于凯金的三维（3D）框架，即[CuI4(btb)2(δ-OH)(PW12O40)]（1）和[CuII2(btb)4(δ-Cl)(PW12O40)]Â-3H2O（2）（btb = 1,4-双(1,2,4-三唑-1-y1)丁烷），并对其进行了结构表征。在化合物 1 中，金属有机亚基是由椭圆形四核 CuI 循环组成的波浪状二维层。此外，这些层通过 Cuâ(OH)âCu 键被羟基桥接，从而构建了三维多孔金属有机框架（MOF）。作为无机模板的凯金阴离子被嵌入结构的通道中。在化合物 2 中，存在一个包含四角四核 CuII 循环的二维 CuIIâbtb 层。相邻的两层共价捕获了它们之间的凯金阴离子，从而构建了一个类似汉堡包的亚基。此外，这些亚基还通过氯桥（CuâClâCu）连接起来，从而构建了一个带有通道的三维框架。通道中的大空隙使化合物 2 形成了双重互穿结构。此外，还研究了化合物 1 和 2 的光催化特性和电化学行为。