5',5''-bis(4-carboxyphenyl)-2',2'',4',4'',6',6''-hexamethyl-[1,1':3',1'':3'',1'''-quaterphenyl]-4,4'''-dicarboxylic acid

• 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''-bis(4-carboxyphenyl)-2',2'',4',4'',6',6''-hexamethyl-[1,1':3',1'':3'',1'''-quaterphenyl]-4,4'''-dicarboxylic acid
• 英文别名: 3,3′,5,5′-tetrakis(4-carboxyphenyl)-2,2′,4,4′,6,6′-hexamethyl-1,1′-biphenyl；3,3',5,5'-tetrakis(4-carboxyphenyl)-2,2',4,4',6,6'-hexamethyl-1,1'-biphenyl；3,3',5,5'-tetrakis(4-carboxyphenyl)bimesityl；3,3',5,5'-tetra(4-carboxyphenyl)bimesityl；4-[3-[3,5-bis(4-carboxyphenyl)-2,4,6-trimethylphenyl]-5-(4-carboxyphenyl)-2,4,6-trimethylphenyl]benzoic acid
• 化学式: C₄₆H₃₈O₈
• 分子量: 718.803
• InChiKey: IUJFLVSTXVUAGV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.3
• 重原子数：
  54
• 可旋转键数：
  9
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.13
• 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''-bis(4-carboxyphenyl)-2',2'',4',4'',6',6''-hexamethyl-[1,1':3',1'':3'',1'''-quaterphenyl]-4,4'''-dicarboxylic acid 在 magnesium(II) nitrate hexahydrate 作用下， 以 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 72.0h， 生成
  参考文献：
  名称：

  基于四（4-羧基苯基）二甲基亚甲基-连接基的碱土金属和碱土金属有机网络

  摘要：

  摘要基于3,3'，5,5'-四（4-羧苯基）-2,2'，4,4'，6,6'-hexamethyl-1， 1'-联苯配体（H4L），即：[Na2（H4L）（H2L）（DMF）2（H2O）2] n（1），2 [Mg（H2O）6]·2H3L·H2L（2），[Mg2L得到（DMF）2（H 2 O）]·2.5DMF（3），得到2 [Ca（H 2 L）（H 2 O）4.5（DMF）0.5]·[Ca（H 2 L）（H 2 O）5] n·2H 2 O（4）。并具有充分的特征。化合物1中的钠离子在扭曲的八面体几何形状中由六个氧原子配位，其中氧原子由四个单齿羧酸盐基团，一个水和一个DMF分子提供。聚羧酸盐配体充当四个Na离子之间的桥梁，以形成具有（4,4）拓扑结构的扩展3D配位网络。在化合物2中，两个晶体学独立的[Mg（H2O）6] 2+络合阳离子和三个非配位的单和双去质子化的四羧酸分子形成由OH = O氢键

  DOI：

  10.1016/j.poly.2019.114128
• 作为产物：
  描述：

  bimesityl 在 硫酸 Oxone 、 四(三苯基膦)钯 、 碘 、 硝酸 、 碳酸氢钠 、 溶剂黄146 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 、 甲苯 为溶剂， 反应 43.0h， 生成 5',5''-bis(4-carboxyphenyl)-2',2'',4',4'',6',6''-hexamethyl-[1,1':3',1'':3'',1'''-quaterphenyl]-4,4'''-dicarboxylic acid
  参考文献：
  名称：

  Three-Dimensional Four-Connecting Organic Scaffolds with a Twist:  Synthesis and Self-Assembly

  摘要：

  We have synthesized a novel class of four-connecting three-dimensional molecular scaffolds 2-5 based on biaryls for supramolecular self-assembly. The X-ray crystal structure analysis of 2 with ethanol reveals a novel O-H center dot center dot center dot O hydrogen-bonded helical self-assembly in three dimensions leading to the generation of channels in the crystal lattice, The tetraacid 3 also forms analogous channels in which the solvent molecules, viz., DMSO and H2O, reside. The structures of 2 and 3 amply illustrate the potential of three-dimensional four-connecting biaryls in developing functional mimics of inorganic zeolites.

  DOI：

  10.1021/jo051205z

文献信息

• Ligand Rigidification for Enhancing the Stability of Metal–Organic Frameworks
  作者：Xiu-Liang Lv、Shuai Yuan、Lin-Hua Xie、Hannah F. Darke、Ya Chen、Tao He、Chen Dong、Bin Wang、Yong-Zheng Zhang、Jian-Rong Li、Hong-Cai Zhou

  DOI：10.1021/jacs.9b02947

  日期：2019.7.3

  Metal-organic frameworks (MOFs) have been developing at an unexpected rate over the last two decades. However, the unsatisfactory chemical stability of most MOFs hinders some of the fundamental studies in this field and the implementation of these materials for practical applications. The stability in a MOF framework is mostly believed to rely upon the robustness of the M-L (M = metal ion, L = ligand)

  在过去的二十年中，金属有机框架 (MOF) 以意想不到的速度发展。然而，大多数 MOF 不令人满意的化学稳定性阻碍了该领域的一些基础研究以及这些材料在实际应用中的实施。MOF 框架中的稳定性主要取决于 ML（M = 金属离子，L = 配体）配位键的稳健性。然而，有机接头作为框架稳定剂的作用，特别是接头刚性/柔韧性，大多被忽视了。在这项工作中，我们证明了配体固化策略可以提高 MOF 的稳定性。制备了三个系列的具有相同连接性但不同灵活性的配体-旋转异构体。用 Zr6O4(OH4)(-CO2)n 单元（n = 8 或 12）和相应的配体构建了 13 个基于 Zr 的 MOF。这些 MOF 使我们能够评估配体刚性、连接性和结构对所得材料稳定性的影响。发现框架中配体的刚性对相应 MOF 的稳定性有很大贡献。此外，在一些化学稳定的 MOF 上进行了水吸附，表现出优异的性能。预计利用该策略可以设计和构建
• Ligand controlled structure of cadmium(II) metal-organic frameworks for fluorescence sensing of Fe3+ ion and nitroaromatic compounds
  作者：Xia Wang、Weidong Fan、Ming Zhang、Yizhu Shang、Yutong Wang、Di Liu、Hailing Guo、Fangna Dai、Daofeng Sun

  DOI：10.1016/j.cclet.2018.12.009

  日期：2019.3

  frameworks (MOFs) based on tetracarboxylate ligands, namely [Cd2(TTTA)(DMF)3]·2DMF (1), [Cd2(TB)(H2O)4]·3DMF·H2O (2) and [Cd(TEB)0.5]·2DMF·4H2O (3) have been designed and synthesized. Complex 1 is a 2-dimensional (2D) 3,4-connected network with 3,4L13 topology, complex 2 features a 3-dimensional (3D) 3,4-connected tfa topology with a 2-fold interpenetrating structure and complex 3 has a 3D 4-connected

  摘要基于四羧酸盐配体的三种镉（II）金属有机骨架（MOF），即[Cd2（TTTA）（DMF）3]·2DMF（1），[Cd2（TB）（H2O）4]·3DMF·H2O（ 2）和[Cd（TEB）0.5]·2DMF·4H2O（3）已被设计和合成。复合体1是具有3,4L13拓扑的2维（2D）3,4连接网络，复合体2具有2互穿结构的3维（3D）3,4连接tfa拓扑，复合体3具有具有4互穿结构的3D 4连接dia拓扑。有趣的是，2表现出永久的孔隙，并在CH4上选择性吸附CO2。另外，图2显示了Fe3 +离子的荧光感应和通过荧光猝灭快速检测硝基芳族化合物（NAC）。
• Aqueous Dispersion of Single-Walled Carbon Nanotubes Using Tetra-Phenyl Bimesitylene Derivative via Noncovalent Modification and Improved Antimicrobial Activity
  作者：Elena Laura Ursu、Irina Rosca、Lucian G Bahrin、Lilia Clima、Dana Bejan、Monica C Sardaru、Narcisa Marangoci、Vasile Lozan、Alexandru Rotaru

  DOI：10.1166/jnn.2019.16762

  日期：2019.12.1

  utilized in dispersing single-walled carbon nanotubes (SWNTs) in aqueous solutions through sonication and centrifugation procedures. The dispersion process and the characterization of final stabilized SWNTs were accomplished using analytical techniques, providing sufficient evidences on the preparation of the dispersed SWNTs in water. All the prepared SWNT water dispersions were evaluated for antimicrobial

  含有羧基的四芳基二甲苯乙烯基衍生物已成功地用于通过超声和​​离心程序将单壁碳纳米管（SWNT）分散在水溶液中。使用分析技术完成了分散过程和最终稳定的单壁碳纳米管的表征，为制备分散的单壁碳纳米管在水中提供了充分的证据。评价所有制备的SWNT水分散体对三种不同参考菌株即大肠杆菌，金黄色葡萄球菌和白色念珠菌的抗微生物活性，并显示出对革兰氏阳性菌株金黄色葡萄球菌的相当大的选择性活性。
• Unusual and Tunable Negative Linear Compressibility in the Metal–Organic Framework MFM-133(M) (M = Zr, Hf)
  作者：Yong Yan、Alice E. O’Connor、Gopikkaa Kanthasamy、George Atkinson、David R. Allan、Alexander J. Blake、Martin Schröder

  DOI：10.1021/jacs.7b11747

  日期：2018.3.21

  High-pressure single-crystal X-ray structural analyses of isostructural MFM-133(M) (M = Zr, Hf) of flu topology and incorporating the tetracarboxylate ligand TCHB4- [H4TCHB = 3,3',5,5'-tetrakis(4-carboxyphenyl)-2,2',4,4',6,6'-hexamethyl-1,1'-biphenyl] and M-6(mu(3)-OH)(8)(OH)(8)(COO)(8)} clusters confirm negative linear compressibility (NLC) behavior along the c axis. This occurs via a three-dimensional wine-rack NLC mechanism leading to distortion of the octahedral cage toward a more elongated polyhedron under static compression. Despite the isomorphous nature of these two structures, MFM-133(Hf) shows a higher degree of NLC than the Zr(IV) analogue. Thus, for the first time, we demonstrate here that the NLC property can be effectively tuned in a framework material by simply varying the inorganic component of the frameworks without changing the network topology and structure.
• Three-Dimensional Four-Connecting Organic Scaffolds with a Twist:  Synthesis and Self-Assembly
  作者：Jarugu Narasimha Moorthy、Ramalingam Natarajan、Paloth Venugopalan

  DOI：10.1021/jo051205z

  日期：2005.10.1

  We have synthesized a novel class of four-connecting three-dimensional molecular scaffolds 2-5 based on biaryls for supramolecular self-assembly. The X-ray crystal structure analysis of 2 with ethanol reveals a novel O-H center dot center dot center dot O hydrogen-bonded helical self-assembly in three dimensions leading to the generation of channels in the crystal lattice, The tetraacid 3 also forms analogous channels in which the solvent molecules, viz., DMSO and H2O, reside. The structures of 2 and 3 amply illustrate the potential of three-dimensional four-connecting biaryls in developing functional mimics of inorganic zeolites.