5'-(4-carboxyphenyl)-[1,1':3',1''-terphenyl]-3,3'',5,5''-tetracarboxylic acid | 1250980-06-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 5'-(4-carboxyphenyl)-[1,1':3',1''-terphenyl]-3,3'',5,5''-tetracarboxylic acid
• 英文别名: 5-[3-(4-carboxyphenyl)-5-(3,5-dicarboxyphenyl)phenyl]benzene-1,3-dicarboxylic acid
• CAS: 1250980-06-3
• 化学式: C₂₉H₁₈O₁₀
• 分子量: 526.456
• InChiKey: GBVMDGSMCGYXPJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  39
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  187
• 氢给体数：
  5
• 氢受体数：
  10

安全信息

• 危险性防范说明：
  P264,P280,P302+P352,P337+P313,P305+P351+P338,P362+P364,P332+P313
• 危险性描述：
  H315,H319

反应信息

• 作为反应物：
  描述：

  zinc(II) nitrate hexahydrate 、 5'-(4-carboxyphenyl)-[1,1':3',1''-terphenyl]-3,3'',5,5''-tetracarboxylic acid 、 N,N-二甲基甲酰胺 以 N,N-二甲基甲酰胺 为溶剂， 以87%的产率得到
  参考文献：
  名称：

  Linker-Directed Vertex Desymmetrization for the Production of Coordination Polymers with High Porosity

  摘要：

  Five non-interpenetrated microporous coordination polymers (MCPs) are derived by vertex desymmetrization using linkers with symmetry inequivalent coordinating groups, and these MCPs include properties such as rare metal clusters, new network topologies, and supramolecular isomerism. Gas sorption in polymorphic frameworks, UMCM-152 and UMCM-153 (based upon a copper-coordinated tetracarboxylated triphenylbenzene linker), reveals nearly identical properties with BET surface areas in the range of 3300-3500 m(2)/g and excess hydrogen uptake of 5.7 and 5.8 wt % at 77 K. In contrast, adsorption of organosulfur compounds dibenzothiophene (DBT) and 4,6-dimethyldibenzothiophene (DMDBT) shows remarkably different capacities, providing direct evidence that liquid-phase adsorption is not solely dependent on surface area or linker/metal cluster identity. Structural features present in MCPs derived from these reduced symmetry linkers include the presence of more than one type of Cu-paddlewheel in a structure derived from a terphenyl tricarboxylate (UMCM-151) and a three-bladed zinc paddlewheel metal cluster in an MCP derived from a pentacarboxylated triphenylbenzene linker (UMCM-154).

  DOI：

  10.1021/ja107423k
• 作为产物：
  描述：

  在 水 、 potassium hydroxide 作用下， 以 1,4-二氧六环 为溶剂， 反应 18.0h， 以0.423 g的产率得到5'-(4-carboxyphenyl)-[1,1':3',1''-terphenyl]-3,3'',5,5''-tetracarboxylic acid
  参考文献：
  名称：

  Linker-Directed Vertex Desymmetrization for the Production of Coordination Polymers with High Porosity

  摘要：

  Five non-interpenetrated microporous coordination polymers (MCPs) are derived by vertex desymmetrization using linkers with symmetry inequivalent coordinating groups, and these MCPs include properties such as rare metal clusters, new network topologies, and supramolecular isomerism. Gas sorption in polymorphic frameworks, UMCM-152 and UMCM-153 (based upon a copper-coordinated tetracarboxylated triphenylbenzene linker), reveals nearly identical properties with BET surface areas in the range of 3300-3500 m(2)/g and excess hydrogen uptake of 5.7 and 5.8 wt % at 77 K. In contrast, adsorption of organosulfur compounds dibenzothiophene (DBT) and 4,6-dimethyldibenzothiophene (DMDBT) shows remarkably different capacities, providing direct evidence that liquid-phase adsorption is not solely dependent on surface area or linker/metal cluster identity. Structural features present in MCPs derived from these reduced symmetry linkers include the presence of more than one type of Cu-paddlewheel in a structure derived from a terphenyl tricarboxylate (UMCM-151) and a three-bladed zinc paddlewheel metal cluster in an MCP derived from a pentacarboxylated triphenylbenzene linker (UMCM-154).

  DOI：

  10.1021/ja107423k

文献信息

• PHOTOLUMINESCENCE-BASED DETECTION OF ACID GASES VIA RARE EARTH METAL-ORGANIC FRAMEWORKS
  申请人：National Technology & Engineering Solutions of Sandia, LLC

  公开号：US20210231628A1

  公开（公告）日：2021-07-29

  The present invention relates to a metal-organic framework composition, as well as constructs and methods thereof. In one particular example, the composition is employed to detect the presence of an acid gas.

  本发明涉及一种金属有机框架组合物，以及其构造和方法。在一个特定的例子中，该组合物被用于检测酸性气体的存在。
• Tunable metal-organic framework compositions and methods thereof
  申请人：National Technology & Engineering Solutions of Sandia, LLC

  公开号：US11007516B1

  公开（公告）日：2021-05-18

  The present invention relates to a metal-organic framework composition, as well as constructs and methods thereof. In one particular example, the composition provides a platform having an emission signal in the deep red to near-infrared (NIR) region.

  本发明涉及一种金属有机框架组合物及其构造和方法。在一个特定的例子中，该组合物提供了一种在深红到近红外（NIR）区域具有发射信号的平台。