1,5-bis(1,2,4-triazol-1-yl)pentane | 143131-64-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1,5-bis(1,2,4-triazol-1-yl)pentane
• 英文别名: 1-[5-(1,2,4-Triazol-1-yl)pentyl]-1,2,4-triazole
• CAS: 143131-64-0
• 化学式: C₉H₁₄N₆
• 分子量: 206.25
• InChiKey: NMARBNYKBPTIDJ-UHFFFAOYSA-N

物化性质

• 沸点：
  426.7±55.0 °C(Predicted)
• 密度：
  1.28±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  15
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.56
• 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：

  sodium molybdate dihydrate 、 1,5-bis(1,2,4-triazol-1-yl)pentane 、 copper(II) acetate monohydrate 以 水 为溶剂， 以42%的产率得到Cu(II)(1,5-bis(1,2,4-triazol-1-yl)pentane)(β-Mo8O26)0.5
  参考文献：
  名称：

  Three 3D hybrid networks based on octamolybdates and different CuI/CuII-bis(triazole) motifs

  摘要：

  Three 3D compounds based on octamolybdate clusters and various Cu-I/Cu-II-bis(triazole) motifs, [Cu(2)(I)btb] [beta-Mo8O26](0.5) (1), [Cu(2)(I)btpe][beta-Mo8O26](0.5) (2), and [C-II(btpe)(2)][beta-Mo8O26](0.5) (3) [btb = 1,4-bis(1,2,4-triazol-1-yl)butane, btpe= 1,5-bis(1,2,4-triazol-1-yl)pentanel, were isolated via tuning flexible ligand spacer length and metal coordination preferences. In 1, the copper(I)-btb motif is a one-dimensional (1D) chain which is further linked by hexadentate beta-(Mo8O26](4-) clusters via coordinating to Cu-I cations giving a 3D structure. In 2, the copper(I)-btpe motif exhibits a "stairs"-like [Cu(2)(I)btpe](2+) sheet, and the tetradentate beta-[Mo8O26](4-) clusters interact with two neighboring [Cu(2)(I)btpe](2+) sheets constructing a 3D framework. In 3, the copper(II)-btpe motif possesses a novel (2D -> 3D) interdigitated structure, which is further connected by the tetradentate beta-[Mo8O26](4-) clusters forming a 3D framework. The thermal stability and luminescent properties of 1-3 are investigated in the solid state. (c) 2010 Elsevier Inc. All rights reserved.

  DOI：

  10.1016/j.jssc.2010.10.006

文献信息

• A series of Cu(ii) and Cd(ii) coordination polymers constructed by 3,5-dinitrosalicylic acid and flexible bis(triazole) ligands containing different spacers
  作者：Yan Yang、Peng Du、Jin Yang、Wei-Qiu Kan、Jian-Fang Ma

  DOI：10.1039/c3ce00034f

  日期：——

  A series of coordination polymers based on 3,5-dinitrosalicylic acid (H2sal) and nine flexible bis(triazole) ligands, namely, [Cu4(sal)4(L1)2(H2O)]·2H2O (1), [Cu4(sal)4(L2)2(H2O)] (2), [Cu2(sal)2(L3)(H2O)] (3), [Cu2(sal)2(L4)(H2O)] (4), [Cu5(sal)4(OH)2(L5)2(H2O)3]·H2O (5), [Cu(sal)(L6)] (6), [Cu2(sal)2(L7)] (7), [Cu(sal)(L8)]·0.5H2O (8), [Cd2(sal)2(L1)(H2O)2] (9), [Cd2(sal)2(L7)3] (10) and [Cd4(sal)4(L9)4]

  一系列基于以下的配位聚合物 3,5-二硝基水杨酸（H 2 sal）和九个柔性双（三唑）配体，即[Cu 4（sal）4（L1）2（H 2 O）]·2H 2 O（1），[Cu 4（sal）4（L2） ）2（H 2 O）]（2），[Cu 2（sal）2（L3）（H 2 O）]（3），[Cu 2（sal）2（L4）（H 2 O）]（4），[Cu 5（sal）4（OH）2（L5）2（H 2 O）3 ]·H 2 O（ 5），[Cu（sal）（L6）]（ 6），[Cu 2（sal） 2（L7）]（ 7），[Cu（sal）（L8）]·0.5H 2 O（ 8），[Cd 2（sal） 2（L1）（H 2 O） 2 ]（ 9），[Cd 2（sal） 2（L7） 3 ]（ 10）和[Cd 4（sal） 4（L9） 4 ]（ 11），其中L1 = 1,2-双（1,2,4-三唑-1-基）乙烷，L2 = 1,3-双（1
• A new 3D POMOF based on Cu I /Cu II -bis(triazole) complexes and BW 12 Keggin polyoxoanions: Synthesis, characterization and electrochemical properties
  作者：Yanjun Zhang、Xin Fu、Chunjing Zhang、Hainjun Pang、Huiyuan Ma、Xi Zhao、Cheng Wang

  DOI：10.1016/j.molstruc.2017.10.089

  日期：2018.2

  A novel organic-inorganic hybrid compound, [Cu-I(btpe)(2)][Cu-2(II)(H2O)2(btpe)(2)][BW12O40]}center dot 2H(2)O, (btpe = 1,5-bis(1,2,4-triazol-1-yl)pentane) (1) has been synthesized by hydrothermal reaction, and characterized by elemental analyses, IR spectroscopy, TG and single X-ray diffraction. Compound 1 is composed of alpha-Keggin type [BW12O40](5-) (BW12) polyoxoanions and copper-btpe complexes. The copper-btpe complexes are stagger-packed to form an open framework containing the two kinds of channels with parallelogram-like apertures, in which the BW12 guests are encapsulated into the bigger channels. The electrochemical studies show that I has a good electrocatalytic activity towards reduction of hydrogen peroxide (H2O2), thanking to its special porous POMOF structure. The molecular design of 1 not only generates a new POMOF, but also opens a new avenue to the electrocatalytic materials. (C) 2017 Elsevier B.V. All rights reserved.
• pH and Ligand Dependent Assembly of Well–Dawson Arsenomolybdate Capped Architectures
  作者：He Zhang、Kai Yu、Chunmei Wang、Zhanhua Su、Chunxiao Wang、Di Sun、Honghong Cai、Zhaoyi Chen、Baibin Zhou

  DOI：10.1021/ic5014973

  日期：2014.12.1

  Five Well-Dawson-type arsenomolybdates, formulated as [Cu(2,2'-bpy)(2)][Cu(2,2'-bpy)}(3)As-2(V)Mo-2(V)Mo-16(VI)O-62}] 4H2O (1), [H-2(4,4'-bpy)](2).(5)[As(III)(As-2(V)Mo-2(V)Mo-16(VI)O-62)] 5H(2)O (2), (pyr)(imi)(Himi)(3)[As-2(III)(As-2(V)Mo-3(V)Mo-15(VI)O-62)] 3H(2)O (3), [As-3(III)(As-2(V)Mo-3(V)Mo-15(VI)O(6)2())] 4H(2)O (4), and (H(2)btp)(3)[As-2(V)Mo-18(VI)O-62] 6H2O (5) (bpy = bipyridine, pyr = pyrazine, imi = imidazole, btp = 1,5-bis(triazol)pentane), have been hydrothermally synthesized and structurally characterized by the elemental analysis, TG, IR, UV-vis-NIR, XPS, XRD, and single-crystal X-ray diffraction. The structural analysis indicates that compounds 1-4 contain rare reduced Dawson As2Mo18O62} (abbreviated as As2Mo18}) anions as parent cluster unit, which are capped by a certain number of Cu(II) or As(III) species on different coordination positions via altering pH values and organic ligand of the reaction system. Compounds 1 and 2 are asymmetric tricopper and monoarsenate(III) capped assemble by three Cu(bpy)}(2+) and a AsO3} fragments, respectively. Compounds 3 and 4 are symmetric biarsenate(III) and triarsenate(III) capped cluster by four and six half occupancy AsO3} units, respectively. Compound 5 is uncapped As2Mo18} structures. Compounds 1-4 represent infrequent Dawson arsenomolybdate capped architectures, especially 2-4, as arsenate(III) capped Dawson-type assemblies are observed for the first time. Compounds 1-5 display good electrocatalytic activity on reduction of nitrite. Compounds 1, 2, 3, and 5 exhibit fluorescent properties in the solid state at room temperature. In addition, magnetic properties of 1-4 have been investigated in detail.
• Three 3D hybrid networks based on octamolybdates and different CuI/CuII-bis(triazole) motifs
  作者：Chun-Jing Zhang、Hai-Jun Pang、Qun Tang、Hui-Yuan Wang、Ya-Guang Chen

  DOI：10.1016/j.jssc.2010.10.006

  日期：2010.12

  Three 3D compounds based on octamolybdate clusters and various Cu-I/Cu-II-bis(triazole) motifs, [Cu(2)(I)btb] [beta-Mo8O26](0.5) (1), [Cu(2)(I)btpe][beta-Mo8O26](0.5) (2), and [C-II(btpe)(2)][beta-Mo8O26](0.5) (3) [btb = 1,4-bis(1,2,4-triazol-1-yl)butane, btpe= 1,5-bis(1,2,4-triazol-1-yl)pentanel, were isolated via tuning flexible ligand spacer length and metal coordination preferences. In 1, the copper(I)-btb motif is a one-dimensional (1D) chain which is further linked by hexadentate beta-(Mo8O26](4-) clusters via coordinating to Cu-I cations giving a 3D structure. In 2, the copper(I)-btpe motif exhibits a "stairs"-like [Cu(2)(I)btpe](2+) sheet, and the tetradentate beta-[Mo8O26](4-) clusters interact with two neighboring [Cu(2)(I)btpe](2+) sheets constructing a 3D framework. In 3, the copper(II)-btpe motif possesses a novel (2D -> 3D) interdigitated structure, which is further connected by the tetradentate beta-[Mo8O26](4-) clusters forming a 3D framework. The thermal stability and luminescent properties of 1-3 are investigated in the solid state. (c) 2010 Elsevier Inc. All rights reserved.