1,3-bis(5-(pyridine-2-yl)-1,2,4-triazol-3-yl)propane | 1071638-73-7

• 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: 1,3-bis(5-(pyridine-2-yl)-1,2,4-triazol-3-yl)propane
• 英文别名: 1,3-bis(5-(pyridin-2-yl)-1,2,4-triazole-3-yl)propane；1,3-bis(5-(pyridin-2-yl)-1,2,4-triazol-3-yl)propane；1,3-Bis(5-(pyridin-2-yl)-1,2,4-triazole-3-yl)propane；2-[5-[3-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)propyl]-1H-1,2,4-triazol-3-yl]pyridine
• CAS: 1071638-73-7
• 化学式: C₁₇H₁₆N₈
• 分子量: 332.368
• InChiKey: XKBQXXMTTCBBBR-UHFFFAOYSA-N

物化性质

• 沸点：
  705.7±70.0 °C(Predicted)
• 密度：
  1.350±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  25
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  109
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  copper(II) perchlorate hexahydrate 、 1,3-bis(5-(pyridine-2-yl)-1,2,4-triazol-3-yl)propane 在 sodium hydroxide 作用下， 以 甲醇 、 水 为溶剂， 反应 0.5h， 以44%的产率得到μ-bis(1,3-bis(5-(pyridin-2-yl)-1,2,4-triazole-3-yl)propane(1-))dicopper(II) perchlorate*3H2O
  参考文献：
  名称：

  Binuclear copper(II) complexes of functionalized 1,2,4-triazoles: Synthesis, structure, and magnetic properties

  摘要：

  Copper(II) coordination compounds with 3-(pyridin-2-yl)-5-(2-salicylideniminophenyl)-1H-1,2,4-triazole and 1,3-bis(5-(pyridin-2-yl)-1,2,4-triazole-3-yl)propane have been synthesized. The complexes have been studied by elemental and thermal analysis, IR and electron spectroscopy, electron paramagnetic resonance (EPR), and magnetochemistry. According to X-ray diffraction data, the complexes have binuclear structures in which metal cations are bonded via the nitrogen atoms of two bridging triazole rings.

  DOI：

  10.1134/s0036023614070055
• 作为产物：
  描述：

  2-氰基吡啶 、 戊二肼 在 sodium 作用下， 以 甲醇 、 溶剂黄146 为溶剂， 反应 5.0h， 以92%的产率得到1,3-bis(5-(pyridine-2-yl)-1,2,4-triazol-3-yl)propane
  参考文献：
  名称：

  Versatile coordination modes of bis[5-(2-pyridine-2-yl)-1,2,4-triazole-3-yl]alkanes in Cu(ii) complexes

  摘要：

  九个含有[5-(2-吡啶基-2-基)-1,2,4-三唑-3-基]烷基（H₂Lⁿ，n = 1–4）的新单核和多核铜（II）配合物已经合成，并通过各种技术进行了表征。

  DOI：

  10.1039/c4dt00462k

文献信息

• Structural and magnetic characterization of Ni(<scp>ii</scp>), Co(<scp>ii</scp>), and Fe(<scp>ii</scp>) binuclear complexes on a bis(pyridyl-triazolyl)alkane basis
  作者：Alexey Gusev、Ivan Nemec、Radovan Herchel、Irina Riush、Ján Titiš、Roman Boča、Konstantin Lyssenko、Mikhail Kiskin、Igor Eremenko、Wolfgang Linert

  DOI：10.1039/c9dt01391a

  日期：——

  complexes were determined by single-crystal X-ray crystallography. Magnetic properties of the compounds were characterized by SQUID magnetometry and were analyzed by fitting on a spin Hamiltonian model. It was revealed that Fe(II) and Co(II) compounds exhibit non-negligible anisotropy and in the case of 2a–c and 3a–c complexes weak ferromagnetic interactions between the metal centers were observed. In the case

  双[5-（2-吡啶基）-1,2,4-三唑-3-基]烷烃的反应（烷烃间隔基= –CH 2 –在L2中–C 3 H 6 –在L3中–C 4 H 8 –在L4中与M（II）A 2盐（M = Ni，Co，Fe）共同制备了五个系列的单核（[M（L2）（H 2 O）2 ] 2 +，1a–c）或双核（[M 2（L3）2（H 2 O）4 ] 4+，2a–c；（[M 2（L4）2（H 2 O）4 ]4+， 3a–c，[M 2（L3） 2（μ-ox）] 2 +， 4a–c ; [M 2（L4） 2（μ-ox）] 2 +， 5a–c）络合物。通过单晶X射线晶体学测定十个配合物的晶体结构。化合物的磁性能通过SQUID磁力分析进行了表征，并通过拟合自旋哈密顿量模型进行了分析。结果表明，Fe（ II）和Co（ II）化合物表现出不可忽略的各向异性，在2a–c和3a–c的情况下观察到配合物在金属中心之间的弱铁磁相互作用。在含有M
• New copper(II) coordination compounds with 1,3-bis(5-(pyridin-2-yl)-1,2,4-triazol-3-yl)propane
  作者：A. N. Gusev、V. F. Shul’gin、I. N. Shcherbakov、K. A. Lysenko、V. V. Minin、I. L. Eremenko

  DOI：10.1134/s1070328417010043

  日期：2017.1

  Two new copper(II) complexes with 1,3-bis(5-(pyridin-2-yl)-1,2,4-triazol-3-yl)propane (H2L), [Cu2(HL)Cl3] · H2O (I) and [Cu(H2L)](ClO4)2 (II), were described. The compounds were characterized by elemental analysis, IR spectroscopy, and magnetochemical data. According to X-ray diffraction data (CIF files CCDC nos. 1497511 (I), 1497512 (II)), complex I is binuclear and the metal cations are bound by

  与1,3-双（5-（吡啶-2-基）-1,2,4-三唑-3-基）丙烷（H 2 L），[Cu 2（HL）Cl [3 ]·H 2 O（I）和[Cu（H 2 L）]（ClO 4）2（II）。通过元素分析，红外光谱和磁化学数据对化合物进行了表征。根据X射线衍射数据（CIF文件CCDC编号1497511（I），1497512（II）），络合物I为双核，并且金属阳离子通过三唑环的氮原子和氯离子结合。复杂二是单核的。I的磁化率的温度依赖性分析证明了顺磁中心的反铁磁耦合（–2 J = 18 cm –1）。交换信道通过使用破坏对称方法的密度泛函理论（B3LYP / 6-311G（d））进行分析。
• Coordination assemblies of rigid–flexible 1,3-bis(5-(pyridine-2-yl)-1,2,4-triazole-3-yl)propane ligands with MCl2 (M = Fe, Co, Cu or Zn): structural diversity and mass spectra
  作者：Xuhong Pang、Chunyue Shu、Haiye Li、Hedong Bian、Hanfu Liu、Fu-Ping Huang

  DOI：10.1007/s11243-017-0158-4

  日期：2017.9

  N-heterocycle 1,3-bis(5-(pyridine-2-yl)-1,2,4-triazole-3-yl) propane (H2L) with MCl2 (M = Fe, Co, Cu or Zn) gave coordination complexes, [Fe2IIICl4(H2L)2]·2Cl}·EtOH·H2O (1), [Co3Cl5(HL)]·H2O}n (2), [Co4Cl4(H2L)2(H2O)4]·[CoCl4]2}·H2O (3), [Cu2Cl3(HL)(H2O)]6·5H2O (4), [Cu2IICuICl4(HL)]n (5), [Zn2Cl2(L)H2O]·H2O}n (6) and [Zn4Cl6(HL)2] (7), which have been characterized by single-crystal X-ray diffraction. Structural

  刚性-柔性 N-杂环 1,3-双(5-(吡啶-2-基)-1,2,4-三唑-3-基)丙烷 (H2L) 与 MCl2 (M = Fe, Co, Cu 或 Zn) 得到配位配合物，[Fe2IIICl4(H2L)2]·2Cl}·EtOH·H2O (1), [Co3Cl5(HL)]· }n (2), [Co4Cl4(H2L)2( )4]·[CoCl4]2}· (3), [Cu2Cl3(HL)( )]6·5 (4), [Cu2IICuICl4(HL)]n (5), [Zn2Cl2(L) ]· }n (6) 和 [Zn4Cl6(HL)2] (7) 已通过单晶 X 射线衍射表征。结构分析表明，吡啶三唑配体在这些配合物中具有多种配位模式。配合物 1、3、4 和 7 由具有双核或四核单元的 0D 簇组成；复合体 2 呈现一个二维网络，伴随着 HL− 和氯桥；配合物 5
• Synthesis, structure and luminescence studies of Eu(III), Tb(III), Sm(III), Dy(III) cationic complexes with acetylacetone and bis(5-(pyridine-2-yl)-1,2,4-triazol-3-yl)propane
  作者：Alexey N. Gusev、Miki Hasegawa、Tomohito Shimizu、Tomonori Fukawa、Shoya Sakurai、Galyna A. Nishchymenko、Victor F. Shul’gin、Svetlana B. Meshkova、Wolfgang Linert

  DOI：10.1016/j.ica.2013.04.006

  日期：2013.9

  Studies concerning synthesis, structure and luminescence of eight-coordinate Eu, Tb, Sm and Dy complexes of the type [Ln(acac)(2)(L)]Cl (Hacac = pentanedione-2,4 and L = bis(5-(pyridine-2-yl)-1,2,4-triazol-3-yl)propane) are reported in detail. The obtained complexes were investigated by various means including elemental- and thermogravimetric analysis, IR- and electron transition spectroscopy. The structure of the Tb complex was determined by single-crystal X-ray crystallography: Tb is eight-coordinate, and L acting only as a tetradentate chelate together with two bidentate acac ligands. Photophysical studies of the complexes were carried out. The Tb(III) and Eu(III) complexes show strong emissions both in solid state and solution. The intensity of the luminescence of Dy(III) and Sm(III) are relatively weak. The factors determining the intensity of the photoluminescence are discussed. (C) 2013 The authors. Published by Elsevier B. V. All rights reserved.
• Structural and photophysical studies of europium complexes containing triazole ligands
  作者：Alexey N. Gusev、Victor F. Shul’gin、Svetlana B. Meshkova、Pavel G. Doga、Miki Hasegawa、Grygory G. Aleksandrov、Igor L. Eremenko、Wolfgang Linert

  DOI：10.1016/j.ica.2012.02.016

  日期：2012.5

  Mono- and bistriazoles ligands have been used to prepare ternary mixed ligand europium(III) complexes in which the remaining ligands are dibenzoylmethane anions (DBM). The complexes were characterized by various measurements including single-crystal X-ray crystallography. Photophysical studies on both ligands and the complexes were carried out. The complexes show strong sharp red emissions in the solid state corresponding to D-5(0) -> F-7(J) (J = 0-3) with a D-5(0) -> F-7(2) (612-613 nm) transition as the most prominent one. It was shown that high thermal stability, luminescence intensity and quantum yield comparable or higher than those for the Eu(DBM)(3)Phen makes such complexes a promising material for OLED. (C) 2012 Elsevier B.V. All rights reserved.