3-(pyrid-3-yl)-5-(1H-1,2,4-triazol-3-yl)-1,2,4-triazolyl | 1439358-68-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 3-(pyrid-3-yl)-5-(1H-1,2,4-triazol-3-yl)-1,2,4-triazolyl
• 英文别名: 3-[5-(1H-1,2,4-triazol-5-yl)-1H-1,2,4-triazol-3-yl]pyridine
• CAS: 1439358-68-5
• 化学式: C₉H₇N₇
• 分子量: 213.201
• InChiKey: XDWTXQNQCZMZBQ-UHFFFAOYSA-N

物化性质

• 沸点：
  598.3±52.0 °C(Predicted)
• 密度：
  1.493±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  96
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  phosphomolybdic acid 、 copper(II) sulfate 、 3-(pyrid-3-yl)-5-(1H-1,2,4-triazol-3-yl)-1,2,4-triazolyl 在 盐酸 作用下， 以 水 为溶剂， 以34 %的产率得到[Cu(pyttz)₂]PMo₁₂O₄₀
  参考文献：
  名称：

  Construction of a 12‐Phosphomolybdate‐based Coordination Polymer@Crumpled Graphene Balls Composite as Anode for Lithium Batteries

  摘要：

  摘要 针对聚氧化金属（POMs）电子导电性差、易溶于电解液等问题，考虑到皱缩石墨烯球（CGBs）的高导电性和构型优势，本文成功合成了一系列POM基配位聚合物[Cu(pyttz)2]PMo12@CGB (n, n=1, 2, 3)，并对其电化学储锂性能和锂离子扩散动力学进行了综合研究。电静态间歇滴定技术（GITT）和电化学阻抗谱（EIS）研究证实，[Cu(pyttz)2]PMo12@CGB（n, n=1, 2, 3）综合了CGB的高电子传导性和POMs的优异锂离子迁移动力学的优点，极大地改善了POMs的电化学性能，其中[Cu(pyttz)2]PMo12@CGB（2）表现出优异的可逆比容量，约为941.4 mA h g-1 at 0.1 A g-1 after 150 cycles and admirable rate performance.这项工作将促进 POMCP 阳极的发展，从而发挥其在高性能 LIB 中的潜力。

  DOI：

  10.1002/asia.202300461

文献信息

• Tuning the Helical Structures of Wells–Dawson Polyoxometalate Based Hybrid Compounds by Using Isomeric Ligands
  作者：Pei-Pei Zhu、Long-Jiang Sun、Ning Sheng、Jing-Quan Sha、Guo-Dong Liu、Lian Yu、Hong-Bin Qiu、Shu-Xian Li

  DOI：10.1021/acs.cgd.6b00119

  日期：2016.6.1

  To explore the effect of the isomeric organic ligand on the helical structure, herein, three Wells–Dawson polyoxometalates (POMs) based hybrid compounds with different helical structures by using the isomeric pyttz organic ligands, [Ag5(pyttz-I)3(H2O)2(HP2W18O62)]·H2O (1), [Ag10(pyttz-II)6(trz)2(H2O)6][HP2W18O62]2·8H2O (2), and K2[Ag7(pyttz-III)4][P2W18O62]·2H2O (3), were successfully isolated. Compound

  为了探索同分异构有机配体对螺旋结构的影响，在此，我们使用了三种同位异氰酸酯化的有机Pttz配体[Ag 5（pyttz-I）3（H ），这是基于三种具有不同螺旋结构的Wells-Dawson多金属氧酸盐（POM）2 O）2（HP 2 W 18 O 62）]·H 2 O（1），[Ag 10（pyttz-II）6（trz）2（H 2 O）6 ] [HP 2 W 18 O 62 ] 2 ·8H 2 O（2），成功分离出K 2 [Ag 7（pyttz-III）4 ] [P 2 W 18 O 62 ]·2H 2 O（3）。化合物1显示了由三种纯无机螺旋链构建并由有机分子稳定的三维（3D）无机骨架，化合物2也是如此，但3D框架由两种类型的有机-无机杂化螺旋链构建。注意化合物3显示了带有一种有机-无机杂化螺旋链的二维层。已经报道了有机配体对新化合物的螺旋结构的影响。此外，三种新化合物对MB的光分解的光催化结果表明，基于Wells-Dawson
• An unprecedented 3D POM–Ag architecture with intertwined and homological helical structures
  作者：Jing-Quan Sha、Meng-Ting Li、Jing-Wen Sun、Yu-Nan Zhang、Peng-Fei Yan、Guang-Ming Li

  DOI：10.1039/c3dt00118k

  日期：——

  A new hybrid compound, Na[Ag6(pyttz)2(H2O)][PMo12O40] (pyttz = 3-(pyrid-3-yl)-5-(1H-1,2,4-triazol-3-yl)-1,2,4-triazolyl), has been hydrothermally synthesized and structurally characterized by routine techniques. X-ray diffraction analysis reveals that the title compound is constructed by the 2D Ag-pyttz coordination polymer and 3D Ag–POM architecture with helix. A fascinating structural feature is the assembling fashion of the right- and left-helical chain, namely, the helical chains with different orientations are intertwined with each other forming intertwined double helical layers along the c-axis, and the identical left- or right-handed helical chains are fused together in a hand-by-hand mode generating another homological helical layer along the a-axis. As a result, these helical layers intersect each other obtaining an unprecedented 3D POM–Ag inorganic architecture. Note that the 3D framework with a helix constructed by POMs and metal ions has never been observed up to date. Additionally, its photocatalytic degradation of RhB was also investigated.

  一种新的杂化化合物 Na[Ag6(pyttz)2(H2O)][PMo12O40]（pyttz = 3-(吡啶-3-基)-5-(1H-1,2,4-三唑-3-基)-1,2,4-三唑基）通过水热法合成，并通过常规技术进行了结构表征。X 射线衍射分析表明，标题化合物由二维 Ag-pyttz 配位聚合物和三维 AgâPOM 螺旋结构构成。其迷人的结构特征在于左右螺旋链的组装方式，即不同取向的螺旋链相互缠绕，沿 c 轴形成相互缠绕的双螺旋层，而相同的左旋或右旋螺旋链以手拉手的方式融合在一起，沿 a 轴产生另一个同源螺旋层。结果，这些螺旋层相互交叉，形成了前所未有的三维 POMâAg 无机结构。值得注意的是，由 POMs 和金属离子构建的三维螺旋框架迄今为止还从未被观察到。此外，还研究了它对 RhB 的光催化降解作用。
• Two new polyoxometalate-based transition metal complexes inhibit bladder cancer cell growth <i>via</i> mitochondrial apoptotic pathway
  作者：Huiyuan Xiao、Baojun Wu、Chunxiao Xue、Fan Wang

  DOI：10.1080/00958972.2019.1599871

  日期：2019.5.19

  organic compounds as building blocks. The in vitro antitumor activities of 1 and 2 were screened on cancer cell lines (MDA-MB-231, CHO, MIA-PaCa-2, J82, HCT-8 and HeLa) and normal cell line (HEK-293). Both compounds exhibited significant antitumor activities, especially against J82 bladder cancer cells. Annexin V/PI was used to detect the apoptosis levels in J82 cell lines. The western blot, ROS (Reactive

  摘要 两种新的多金属氧酸盐 (POM) 基过渡金属配合物 [Ag2(p-H2pyttz)2][H2SiMo12O40]·6 (1, H2itpy = 4-(5-(1H-imidazol-2-yl)-1H-1) ,2,4-triazol3-yl)pyridine) 和 [Cu5(m-pyttz)2(H2O)2][H3SiMo12O40] (2, H2pyttz = 3-(pyrid-3/4-yl)-5(1H-1) ,2,4三唑-3-基)-1,2,4-三唑基), 已通过使用 Keggin 型 POM 阴离子 [SiMo12O40]4- 和不同的 N 供体有机化合物作为构建单元进行水热合成。在癌细胞系（MDA-MB-231、CHO、MIA-PaCa-2、J82、HCT-8和HeLa）和正常细胞系（HEK-293）上筛选了1和2的体外抗肿瘤活性。两种化合物都表现出显着的抗肿瘤活性，尤其是对 J82
• A series of new polyoxometalate-based metal–organic complexes with different rigid pyridyl-bis(triazole) ligands: assembly, structures and electrochemical properties
  作者：Xiuli Wang、Xue Bai、Hongyan Lin、Junjun Sun、Xiang Wang、Guocheng Liu

  DOI：10.1039/c8ra03277g

  日期：——

  (PXRD) and thermogravimetric analyses (TGA). Complex 1 is a two-dimensional (2D) supramolecular network based on the binuclear complex unit: [Co2(Hpyttz-I)2(H2O)6 [CrMo6(OH)6O18]]. Complex 2 is a 1D supramolecular chain derived from the binuclear cobalt complex: Co2(H2pyttz-I)2(H2O)4[TeMo6O24]}2−, the discrete [Co(H2O)6]2+ units act as counter cations. Complexes 3 and 4 are isostructural with different

  五种新型多金属氧酸盐（POM）基金属有机配合物（MOC），具有不同的刚性吡啶基双（三唑）配体，即HCo 2 (Hpyttz-I) 2 (H 2 O) 6 [CrMO 6 (OH) 6 O 18 ]}·8H 2 O ( 1 ), Co 2 (H 2 pyttz-I) 2 (H 2 O) 4 [TeMO 6 O 24 ]}[Co(H 2 O) 6 ]·3H 2 O ( 2 ), Co 3 (Hpyttz-II) 2 (H 2 O) 6 [γ-MO 8 O 26 ]}·10H 2 O ( 3 ), Ni 3 (Hpyttz-II) 2 (H 2 O) 6 [γ-MO 8 O 26 ]}·10H 2 O ( 4 ), Ni 3 (Hpyttz-III) 2 (H 2 O) 8 [γ-MO 8 O 26 ]}·10H 2 O ( 5 ) ( H 2 pyttz-I = 3-(吡啶-2-基)-5-(1H-1
• Effects of Polyoxometalates on the Hydroxylation of N-Heterocyclic Ligands
  作者：Peipei Zhu、Chang Liu、Mingqi Xu、Zhibo Tong、Jing-Quan Sha

  DOI：10.1021/acs.inorgchem.0c02702

  日期：2020.11.2

  Four polyoxometalate (POM)-based Cu complexes with the hydroxylated pyridine analogue 3-(2-hydroxylpyrid-4-yl)-5-(1H-1,2,4-triazol-3-yl)-1,2,4-triazolyl (btpo), H₃[Cu₂(btpo)₂](PW₁₂O₄₀)}·2H₂O (1), H₃[Cu₂(btpo)₂](PMo₁₂O₄₀)}·2H₂O (2), H₂[Cu₂(btpo)₂](SiW₁₂O₄₀)·SO₄ (3), and H₄[Cu₄(btpo)₄](SiW₁₂O₄₀)}·8H₂O (4), were synthesized hydrothermally under acid conditions. Single-crystal X-ray structural analysis reveals that 3-(pyrid-4-yl)-5-(1H-1,2,4-triazol-3-yl)-1,2,4-triazolyl was hydroxylated into btpo in compounds 1-4, again providing structural evidence for the Gillard mechanism, in which H₂O as a weak nucleophile can attack the α-C atom of N-heterocyclic molecules at a lower pH value (ca. 1.0) with the help of POMs.