N,N'-bis(1,3,4-thiadiazol-2-yl)-2,6-pyridinedicarboxamide | 377064-40-9

• 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: N,N'-bis(1,3,4-thiadiazol-2-yl)-2,6-pyridinedicarboxamide
• 英文别名: N,N′-bis(1,3,4-thiobiazolyl)-2,6-pyridyldicarboxamide；N,N'-bis(1,3,4-thiobiazolyl)-2,6-pyridyldicarboxamide；btapca；H2-btapca；2-N,6-N-bis(1,3,4-thiadiazol-2-yl)pyridine-2,6-dicarboxamide
• CAS: 377064-40-9
• 化学式: C₁₁H₇N₇O₂S₂
• 分子量: 333.354
• InChiKey: QWRGXHKRNNOPMI-UHFFFAOYSA-N

物化性质

• 密度：
  1.733±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  179
• 氢给体数：
  2
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  N,N'-bis(1,3,4-thiadiazol-2-yl)-2,6-pyridinedicarboxamide 、 水 、 lead(II) acetate trihydrate 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 336.0h， 以27%的产率得到[Pb₂(btapca)₂(H₂O)₂]_n
  参考文献：
  名称：

  通过改变混合溶剂的比例由吡啶基二甲酰胺构建的 0D 和 1D PbII 复合物

  摘要：

  摘要 通过改变混合反应溶剂的比例，PbAc2 与 N,N'-双(1,3,4-硫代二唑基)-2,6-吡啶基二甲酰胺 (H2btapca) 的反应提供了两种不同的晶体结构：一种新型离散六核笼式[Pb6(btapca)6]·(H2O)2(1)和一维双链聚合物[Pb2(btapca)2(H2O)2]n(2)。荧光研究表明，与游离配体 H2btapca 相比，这两种复合物都显示出增强的发射。

  DOI：

  10.1016/j.inoche.2014.06.017
• 作为产物：
  描述：

  2-氨基-1,3,4-噻二唑 、 2,6-氯甲酰吡啶 在 咪唑 作用下， 以 neat (no solvent) 为溶剂， 反应 0.25h， 以77%的产率得到N,N'-bis(1,3,4-thiadiazol-2-yl)-2,6-pyridinedicarboxamide
  参考文献：
  名称：

  1,3,4-噻二唑基二酰胺：合成和络合特性

  摘要：

  摘要 用常规方法和微波刺激反应以令人满意的收率制备了带有1,3,4-噻二唑残基的芳族二酰胺，2,6-吡啶二羧酸和间苯二甲酸的衍生物。描述了 N,N'-双(1,3,4-噻二唑-2-基)-2,6-吡啶二甲酰胺 (2) DMSO 溶剂化物 (2·DMSO) 的 X 射线结构。在 DMSO 中发现 N,N'-双(1,3,4-噻二唑-2-基)-2,6-吡啶二甲酰胺的选择性锌(II)、镧(III)、铽(III)和l-酪氨酸识别及其与水的混合物。提出了用于金属阳离子传感的IDA（指示器位移分析）系统。将2的结合特性与新合成的N,N'-双(1,3,4-噻二唑-2-基)-1,3-苯二甲酰胺1进行比较。

  DOI：

  10.1016/j.molstruc.2017.06.057

文献信息

• Transition Metal Ion Directed Self‐Assembly of Polynuclear Coordination Complexes: Structural Characterization and Magnetic Properties
  作者：Yongli Wei、Hongwei Hou、Yaoting Fan、Yu Zhu

  DOI：10.1002/ejic.200400110

  日期：2004.10

  the trinuclear complex [Fe3(OH)(btapca)3}·2DMF·2MeOH] (6). The dominant characteristic of these polynuclear complexes is that there are μ3- or μ4-oxygen atoms in the metal polyhedrons. The hexanuclear complexes 1 and 2 show similar octahedral features based on zinc centers. The five metal centers in complexes 3, 4 and 5 arrange into two triangles with one common vertex. As for complex 6, three iron(II)/iron(III)

  不同过渡金属与多齿配体 N,N'-双(1,3,4-噻二唑-2-基)-2,6-吡啶二甲酰胺 (btapca) 的反应提供了六种新的多核配合物：六核配合物 [Zn6 (O)2(btapca)4}·3DMF·2H2O](1)和[Zn6(O)2(btapca)4}·DMF·MeOH·H2O](2)；五核配合物 [Zn5(OH)2(btapca)4}·4DMF·H2O] (3), [Co5(OH)2(btapca)4}·4DMF·MeOH·H2O] (4) 和 [Ni5 (OH)2(btapca)4}·4DMF·MeOH](5)；和三核配合物 [Fe3(OH)(btapca)3}·2DMF·2MeOH] (6)。这些多核配合物的主要特征是金属多面体中有μ3-或μ4-氧原子。六核配合物 1 和 2 显示出类似的基于锌中心的八面体特征。配合物 3、4 和 5 中的五个金属中心排列成具有一个公共顶点的两个三角形。至于复数
• First Octameric Ellipsoid Lanthanide(III) Complexes:  Crystal Structure and Nonlinear Optical Absorptive and Refractive Properties
  作者：Hongwei Hou、Yongli Wei、Yinglin Song、Yaoting Fan、Yu Zhu

  DOI：10.1021/ic035244+

  日期：2004.2.1

  The ligand N,N'-bis(1,3,4-thiobiazolyl)-2,6-pyridyldicarboxamide (btapca) has been synthesized and its coordination properties toward La(III) and Ce(III) in the presence of air have been investigated. The complexes [Ln(8)(tbzcapc)(12)-(H2O)(24)].6DMF (Ln = La, 1, Ce, 2; tbzcapc = 6-[2-N-(1,3,4-thiabiazolyl)carboxamido]-2-pyridylcarboxylate) show octameric ellipsoid structures. We found the starting ligand btapca had been altered into tbzcapc during the formation process of [Ln(8)(tbzcapc)(12)(H2O)(24)].6DMF. The NLO properties of complexes 1 and 2 were investigated via Z-scan techniques. It is interesting that the two isostructural complexes show completely different NLO properties. Complex 1 shows NLO refractive effects without absorption, while complex 2 possesses NLO absorptive behavior without refraction.
• Pyridyldicarboxamide-based multinuclear complexes: Syntheses, structural characterizations, and magnetic properties
  作者：Linke Li、Hong Xu、Xianju Shi、Hongwei Hou、Yaoting Fan

  DOI：10.1016/j.ica.2010.07.063

  日期：2010.11

  Using the pyridine dicarboxamide derivative N,N'-bis(1,3,4-thiadiazol-2-yl)-2,6-pyridinedi-carboxamide (H-2-btapca) as ligand, two novel polynuclear complexes: dimeric [Cu-2(mu(2)-O2H)(btapca)(2)]center dot DMF center dot H2O} (1) and tetrameric [Ni-4((mu(2)-O2H)(2)(btapca)(4))]center dot DMF center dot MeOH center dot 3.5H(2)O} (2) were obtained. In complex 1, two center Cu(II) ions are bounded by two btapca ligands and one aqueous molecule acting as a mu(2)-H2O bridge connect them together. Complex 2 is a tetrameric complex, in which the based backbone is an assumed Ni-4 tetrahedron with two mu(2)-O2H bridges existing inside the tetrahedron forming a basic [Ni-2(mu(2)-O2H)](2) core, which are surrounded by four btapca ligands. The magnetic properties of the two polynuclear complexes were determined, the results show that for both of the two complexes, the overall weak ferromagnetic exchange interactions between central metal ions are evident, the best fitting parameters are: J = 7.47 cm (1) (g = 2.21) for dimeric Cu(II) complex 1, and 2J(1) = 4.8 cm (1), 2J(2) = -0.00204 cm (1)(g = 2.14, zJ' = 0.00077 cm (1)) for tetrameric Ni(II) complex 2. (C) 2010 Elsevier B.V. All rights reserved.