5,5'-(naphthalene-1,4-diyl)diisophthalic acid | 1119196-01-8

• 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: 5,5'-(naphthalene-1,4-diyl)diisophthalic acid
• 英文别名: 5,5'-(Naphthalene-1,4-diyl)diisophthalic acid；5-[4-(3,5-dicarboxyphenyl)naphthalen-1-yl]benzene-1,3-dicarboxylic acid
• CAS: 1119196-01-8
• 化学式: C₂₆H₁₆O₈
• 分子量: 456.408
• InChiKey: NIZXUKQACFYXHJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  34
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  149
• 氢给体数：
  4
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  5,5'-(naphthalene-1,4-diyl)diisophthalic acid 在 sodium hydroxide 作用下， 以 水 为溶剂， 生成
  参考文献：
  名称：

  基于六苯基三亚苯基的多组分金属笼：用于白光发射的主客体络合

  摘要：

  通过多组分自组装制备了一系列在溶液和固态均显示强烈蓝光发射的基于六苯基三亚苯基 (HPT) 的金属笼。它们可以作为宿主与三种平面荧光染料络合，当它们与PDI衍生物络合时可以产生明亮的白光。

  DOI：

  10.1002/chem.202203926
• 作为产物：
  描述：

  在 potassium hydroxide 作用下， 以 四氢呋喃 、 乙醇 、 水 为溶剂， 以95 %的产率得到5,5'-(naphthalene-1,4-diyl)diisophthalic acid
  参考文献：
  名称：

  基于六苯基三亚苯基的多组分金属笼：用于白光发射的主客体络合

  摘要：

  通过多组分自组装制备了一系列在溶液和固态均显示强烈蓝光发射的基于六苯基三亚苯基 (HPT) 的金属笼。它们可以作为宿主与三种平面荧光染料络合，当它们与PDI衍生物络合时可以产生明亮的白光。

  DOI：

  10.1002/chem.202203926

文献信息

• A comparative study of C₂H₂ adsorption properties in five isomeric copper-based MOFs based on naphthalene-derived diisophthalates
  作者：Fengli Chen、Dongjie Bai、Donghao Jiang、Yao Wang、Yabing He

  DOI：10.1039/c7dt02290e

  日期：——

  H4L5, respectively. Furthermore, their C2H2 adsorption properties were systematically investigated, revealing that their different C2H2 uptake capacities can be mainly related to their different pore sizes since they possess the same chemical compositions and gravimetric densities of open metal sites. In particular, of these five MOF compounds investigated, ZJNU-71 exhibits the highest gravimetric C2H2

  在这项工作中，五个位置异构体配体由两个以不同方式连接到中心萘基核上的周边邻苯二甲酸酯部分组成，即5,5'-（萘基-1,3-二基萘基）二间苯二甲酸酯（H4L1），5,5'- （1,4-萘基萘基）二间苯二甲酸酯（H4L2），（5,5'-（1,5-萘基萘基）二间苯二甲酸酯（H4L3），（5,5'-（萘基-1,6-萘基基）二间苯二甲酸酯（H4L4） ）和5,5'-（-2,6-萘基萘基）二间苯二甲酸酯（H4L5）已用于生成五种基于铜的MOF异构体。正如单晶X射线衍射研究所揭示的那样，他们根据有机配体采用了两种不同类型的拓扑：分别基于配体H4L1和H4L4的MOF ZJNU-71和ZJNU-74的ssa拓扑以及nbo拓扑分别衍生自配体H4L2，H4L3和H4L5的MOF ZJNU-72，ZJNU-73和NOTT-103。此外，系统地研究了它们对C2H2的吸附性能，发现它们具有不同的C2H2吸收能力，这
• A NbO type microporous metal–organic framework constructed from a naphthalene derived ligand for CH₄and C₂H₂storage at room temperature
  作者：Jianfeng Cai、Yichao Lin、Jiancan Yu、Chuande Wu、Liang Chen、Yuanjing Cui、Yu Yang、Banglin Chen、Guodong Qian

  DOI：10.1039/c4ra07219g

  日期：——

  A novel NbO type microporous metal–organic framework [Cu2(C26H12O8)(H2O)2]·(DMF)2·(MeCN)3·(H2O)4, (ZJU-7, ZJU = Zhejiang University; H4L = 5,5′-(naphthalene-1,4-diyl)diisophthalic acid; DMF = N,N-dimethylformamide; MeCN = acetonitrile) has been synthesized and structurally characterized. With open metal sites, suitable pore spaces and moderately high permanent porosity, the activated ZJU-7a exhibits moderately high CH4 storage of 160 cm3(STP) per cm3 at 35 bar and 298 K. Meanwhile, ZJU-7a also displays moderate C2H2 gravimetric storage of 180 cm3 g−1 at 1 atm and 298 K.

  新型氧化铌微孔金属有机框架[Cu2(C26H12O8)(H2O)2]Â-(DMF)2Â-(MeCN)3Â-(H2O)4，（ZJU-7，ZJU = 浙江大学；H4L=5,5â²-(萘-1,4-二基)二间苯二甲酸；DMF=N,N-二甲基甲酰胺；MeCN=乙腈）的合成和结构表征。活化的 ZJU-7a 具有开放的金属位点、合适的孔隙空间和中等程度的永久孔隙率，在 35 巴和 298 K 条件下具有中等程度的高 CH4 储量（160 cm3(STP) per cm3）。
• Encapsulating Rhodamine B in the NbO-type metal-organic framework to construct dual-emitting ratiometric thermometer
  作者：Mengyao Gong、Zhangjian Li、Qin Wang、Wenqing Xiang、Tifeng Xia、Dian Zhao

  DOI：10.1016/j.jssc.2022.123147

  日期：2022.7

  composite RhB@MOF formed by ion-exchange was further explored the temperature sensing behavior in the physiological temperature range. RhB@MOF exhibits an excellent linear relationship between the luminescent intensity ratio of the organic linker and the dye RhB and temperature in the range of 30–90 ​°C, with the maximum relative temperature sensitivity (Sr) of 0.42%·oC−1 at 30 ​°C. These results validate

  基于多孔金属有机框架 (MOF) 和荧光染料的组合制造主客体复合材料对于比率发光测温具有吸引力。在此，我们设计了一种 NbO 型 MOF，它具有由含有 π 共轭萘部分和 Zn 2+的四羧酸配体建立的 3D 结构。离子通过溶剂热条件。相当多的规则通道使客体分子罗丹明 B (RhB) 能够被快速吸收。进一步探索了离子交换形成的复合RhB@MOF在生理温度范围内的温度传感行为。RhB@MOF在30-90℃范围内，有机连接体与染料RhB的发光强度比与温度之间表现出极好的线性关系，最大相对温度灵敏度（S r）为0.42%· o C -1在 30°C。这些结果验证了这种热响应材料在灵敏温度检测方面的潜力，并进一步促进了在生理温度范围内工作的比率温度计的发展。
• High Capacity Hydrogen Adsorption in Cu(II) Tetracarboxylate Framework Materials: The Role of Pore Size, Ligand Functionalization, and Exposed Metal Sites
  作者：Xiang Lin、Irvin Telepeni、Alexander J. Blake、Anne Dailly、Craig M. Brown、Jason M. Simmons、Marco Zoppi、Gavin S. Walker、K. Mark Thomas、Timothy J. Mays、Peter Hubberstey、Neil R. Champness、Martin Schröder

  DOI：10.1021/ja806624j

  日期：2009.2.18

  A series of isostructural metal-organic framework polymers of composition [Cu-2(L)(H2O)(2)] (L=tetracarboxylate ligands), denoted NOTT-nnn, has been synthesized and characterized. Single crystal X-ray structures confirm the complexes to contain binuclear Cu(II) paddlewheel nodes each bridged by four carboxylate centers to give a NbO-type network of 6(4).8(2) topology. These complexes are activated by solvent exchange with acetone coupled to heating cycles under vacuum to afford the desolvated porous materials NOTT-100 to NOTT-109. These incorporate a vacant coordination site at each Cu(II) center and have large pore volumes that contribute to the observed high H-2 adsorption. Indeed, NOTT-103 at 77 K and 60 bar shows a very high total H-2 adsorption of 77.8 mg g(-1) equivalent to 7.78 wt% [wt% = (weight of adsorbed H-2)/(weight of host material)] or 7.22 wt% [wt% = 100(weight of adsorbed H2)/(weight of host material + weight of adsorbed H-2)]. Neutron powder diffraction studies on NOTT-101 reveal three adsorption sites for this material: at the exposed Cu(II) coordination site, at the pocket formed by three Cu-2} paddle wheels, and at the cusp of three phenyl rings. Systematic virial analysis of the H2 isotherms suggests that the H2 binding energies at these sites are very similar and the differences are smaller than 1.0 kJ mol(-1), although the adsorption enthalpies for H-2 at the exposed Cu(II) site are significantly affected by pore metrics. Introducing methyl groups or using kinked ligands to create smaller pores can enhance the isosteric heat of adsorption and improve H-2 adsorption. However, although increasing the overlap of potential energy fields of pore walls increases the heat of H-2 adsorption at low pressure, it may be detrimental to the overall adsorption capacity by reducing the pore volume.
• METAL-ORGANIC FRAMEWORKS (MOF) FOR GAS CAPTURE
  申请人：The University of Nottingham

  公开号：US20150047505A1

  公开（公告）日：2015-02-19

  The present invention relates to a metal organic framework comprising of a metal ion (M) and an organic ligand wherein more than one hydroxy ligand are present about the metal ion. Also provided is a method for synthesising the metal-organic frameworks and their application in areas including scrubbing exhaust gas streams of acidic gases, scrubbing natural gas of acidic gases by separation or sequestration and separating C 2 H a or other VOC gases from other gas mixtures.