4'-carboxy-4,2':6',4''-terpyridine | 1214356-55-4

• 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: 4'-carboxy-4,2':6',4''-terpyridine
• 英文别名: [4,2':6',4''-Terpyridine]-4'-carboxylic acid；2,6-dipyridin-4-ylpyridine-4-carboxylic acid
• CAS: 1214356-55-4
• 化学式: C₁₆H₁₁N₃O₂
• 分子量: 277.282
• InChiKey: SECYFZDXLHSHCD-UHFFFAOYSA-N

物化性质

• 沸点：
  575.0±50.0 °C(Predicted)
• 密度：
  1.306±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  76
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  aqueous cadmium chloride 、 4'-carboxy-4,2':6',4''-terpyridine 在 草酸 、 sodium hydroxide 作用下， 以 水 为溶剂， 反应 72.0h， 以84%的产率得到[Cd2(ctpy)4]n*2nH2O
  参考文献：
  名称：

  Effect of pH/metal ion on the structure of metal–organic frameworks based on novel bifunctionalized ligand 4′-carboxy-4,2′:6′,4′′-terpyridine

  摘要：

  四种新型配位聚合物：[Cd2(ctpy)4]nÂ-2nH2O (1)、[Cd2(ctpy)2(ox)]n (2)、[Zn(ctpy)(ox)0.5]nÂ-0.5nH2O（3）和[Cu2(ctpy)2(ox)]n（4）（Hctpy = 4â²-羧基-4,2â²:6â²,4â²-三吡啶 H2ox = 草酸），并通过元素分析、红外光谱、单晶 X 射线衍射和热重分析进行了表征。化合物 1 是一种新的二重互穿（3,5）连接三维框架，其 Schl¤fli 符号为 (63)(69Â-8)。化合物 2 显示了一个不寻常的三维配位网络，它呈现出一个有趣的 (4,5) - 连接的二极新拓扑网，其 Schl¤fli 符号为 (42Â-63Â-8)(42Â-65Â-83)。化合物 3 具有两重互穿（3,4）连接的三维框架，具有 fsc 拓扑网和 Schl¤fli 符号 (63)(65Â-8)。化合物 4 是具有 dmc 拓扑网和 Schl¤fli 符号 (4.82)(4.85) 的三重互穿 (3,4) 连接三维框架。有趣的是，化合物 1â4 也是在类似的反应条件下获得的。化合物 1 和 2 结构的多样性可能说明了 pH 值对反应溶液的显著影响。而化合物 2â4 结构的多样性可能说明了金属离子对反应溶液的显著影响。此外，还研究了化合物 1â3 的荧光特性和化合物 3 的吸附特性。

  DOI：

  10.1039/c2ce26171e

文献信息

• WATER CAPTURE METHODS, DEVICES, AND COMPOUNDS
  申请人：University of Limerick

  公开号：US20200030737A1

  公开（公告）日：2020-01-30

  A method of capturing water from a gaseous composition comprising water vapour (e.g., air), the method comprising: (a) providing a metal-organic material; and (b) contacting the metal-organic material with water and/or water vapour; wherein upon contact with water and/or water vapour the material switches from a first state to a second state wherein the second state is able to retain a higher amount of water than the first state.

  一种从含水蒸气（例如空气）中捕获水的方法，包括以下步骤：(a) 提供金属有机材料；和(b) 将金属有机材料与水和/或水蒸气接触；其中，在接触水和/或水蒸气时，该材料从第一状态切换到第二状态，第二状态能够比第一状态更多地保留水。
• Syntheses, structures and magnetic properties of four new coordination polymers based on 4′-carboxy-4,2′:6′,4″-terpyridine
  作者：Fei Yuan、Sa-Sa Shen、Huai-Ming Hu、Ran An、Xiaofang Wang、Zhuguo Chang、Ganglin Xue

  DOI：10.1016/j.ica.2015.02.010

  日期：2015.5

  Four new coordination polymers, [Co-2(ctpy)(2)(ox)](n)center dot 2.5nH(2)O (1), [Ni-2(ctpy)(2)(ox)](n)center dot 2.5nH(2)O (2), [Co-2(ctpy)(2)(adip)(H2O)(2)](n) (3) and [Co(Hctpy)(m-bdc)H2O](n) (4) (Hctpy = 4'-carboxy-4,2':6',4 ''-tpyridine, H(2)ox = oxalic acid and m-H(2)bdc = benzene-1,3-dicarboxylic acid) have been hydrothermally synthesized and characterized by elemental analysis, IR, single crystal X-ray diffraction and thermal analyses. Single crystal X-ray analysis reveals that compounds 1 and 2 are isostructural twofold interpenetrating (3,4)-connected 3D framework with the fsc topological net and the Schlafli symbol of (6(3))(6(5).8). Compound 3 show a 2D -> 3D polycatenated supramolecular structure based on (3,4)-connected 2D bilayers with the Schlafli symbol of (6(3))(6(6)), whereas compound 4 displays a 3D supramolecular architecture based on hydrogen bonding interactions between 1D chains. Additionally, magnetic properties of compounds 1, 3 and 4 have been investigated. (C) 2015 Elsevier B.V. All rights reserved.
• Three novel coordination polymers based on bifunctionalized ligand 4′-carboxy-4,2′:6′,4″-terpyridine
  作者：Fei Yuan、Qiao-E Zhu、Huai-Ming Hu、Juan Xie、Bing Xu、Chun-Mei Yuan、Meng-Lin Yang、Fa-Xin Dong、Gang-Lin Xue

  DOI：10.1016/j.ica.2012.11.030

  日期：2013.3

  Three novel coordination polymers [Zn(ctpy)(Cl)](n)center dot(H2O)(n) (1), [Zn-2(ctpy)(2)(tp)](n) (2) and [Cu-2(ctpy)(2)(tp)](n) (3), Hctpy =4'-carboxy-4,2':6',4 ''-tpyridine, H(2)tp = terephthalic acid, have been hydrothermally synthesized and characterized by elemental analysis, IR, single crystal X-ray diffraction. Compounds 1 and 3 show the utp and ins topologies with 2- and 3-fold interpenetrating structures, while compound 2 is a non-interpenetrating (4,4)-connected 2D layer with one-dimension channels along b axis and further assembles into a 3D supramolecular structure by pi center dot center dot center dot pi p stacking interactions. The structural diversity of compounds 1-2 may illustrate the marked effect of the pH of the reaction system. The diversity structures of the compounds 2 and 3 may illustrate the marked effect of metal ion. Furthermore thermal stabilities and photoluminescent properties were also studied. (C) 2012 Elsevier B. V. All rights reserved.
• WATER CAPTURE
  申请人：UNIVERSITY OF LIMERICK

  公开号：US20210162338A1

  公开（公告）日：2021-06-03

  A method of capturing water from a gaseous composition comprising water vapour (suitably air), the method comprising: (a) providing a metal-organic material; and (b) contacting themetal-organic material with water and/or water vapour; wherein upon contact with water and/or water vapour the material switches from a first state to a second state wherein the second state is able to retain a higher amount of water than the first state.