5,5'-(biphenyl-4,4'-diyl-bis(methylene))bis(oxy)diisophthalic acid | 1301263-44-4

• 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'-(biphenyl-4,4'-diyl-bis(methylene))bis(oxy)diisophthalic acid
• 英文别名: 5,5′-(biphenyl-4,4′-diylbis(methylene))bis(oxy)diisophthalic acid；5,5'-(4,4'-phenylenebis(methyleneoxy))diisophthalic acid；5,5'-(Biphenyl-4,4'-diyl-bis(methylene))bis(oxy)diisophthalic acid；5-[[4-[4-[(3,5-dicarboxyphenoxy)methyl]phenyl]phenyl]methoxy]benzene-1,3-dicarboxylic acid
• CAS: 1301263-44-4
• 化学式: C₃₀H₂₂O₁₀
• 分子量: 542.499
• InChiKey: PIDBTEHSRNNXGY-UHFFFAOYSA-N

物化性质

• 沸点：
  874.8±65.0 °C(Predicted)
• 密度：
  1.449±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  40
• 可旋转键数：
  11
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  168
• 氢给体数：
  4
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  1,10-菲罗啉 、 manganese(II) chloride tetrahydrate 、 5,5'-(biphenyl-4,4'-diyl-bis(methylene))bis(oxy)diisophthalic acid 以 水 、 乙腈 为溶剂， 反应 72.5h， 以58%的产率得到
  参考文献：
  名称：

  基于半刚性四羧酸配体的两种新型配位聚合物的结构多样性和光催化性能

  摘要：

  摘要 柔性配体5,5ˊ-(4,4ˊ-亚苯基双(亚甲氧基))二间苯二甲酸(H4L)和不同分子大小的N-供体配体3,3',5,5'-四甲基- 4,4'-联吡唑 (bpz) 和 1,10-菲咯啉 (phen) 产生了两种新的配位聚合物，[Co(L)0.5(bpz)·2.5H2O]n (1) 和 [Mn(H2L)( phen)]n (2). 1 具有 3D 双重互穿 2 节点 4,4-c 网络，具有 (64.82)(66)2 拓扑结构的 Schlafli 符号，而 2 展示了 2-D 网格网络，通过 π π 相互作用进一步提供了 3D 超分子基序相邻 phen 接头之间的电流为 3.65 A。还总结了各种 N 供体配体在组装柔性聚合物与 H4L 中的影响。光催化研究表明，1 和 2 表现出对有机染料甲基紫 (MV) 的高效降解活性。同时，

  DOI：

  10.1016/j.molstruc.2020.129067
• 作为产物：
  描述：

  tetramethyl 5,5'-(([1,1'-biphenyl]-4,4'-diylbis(methylene))bis(oxy))diisophthalate 在 potassium hydroxide 、 盐酸 作用下， 以 甲醇 、 水 为溶剂， 反应 48.0h， 以60%的产率得到5,5'-(biphenyl-4,4'-diyl-bis(methylene))bis(oxy)diisophthalic acid
  参考文献：
  名称：

  Solvent-Induced Synthesis of Zinc(II) and Manganese(II) Coordination Polymers with a Semirigid Tetracarboxylic Acid

  摘要：

  By using a semirigid quadricarboxylate ligand 5,5'-(biphenyl-4,4'-diyIbis (methylene))bis(oxy)diisophthalic acid (H4L), four novel coordination polymers were obtained solvothermally and characterized by single-crystal X-ray diffraction, thermogravimetric, photoluminescent and gas adsorption studies. Compound [Zn-2(L)] center dot CH3CN, 1, is a three-dimensional (3D) framework built from one-dimensional (ID) rod-shaped Zn-O-C secondary building units (SBUS) that are linked together by the 4-connecting L ligands to give rod packing of pcu type and elliptical channels of 7.7 x 8.4 angstrom(2). Compound [Zn-4(L)(2)(H2O)(4)] center dot 5H(2)O, 2, possesses a 3D open framework with a doubly interpenetrated sra net built from 4-connecting Zn-2(OOC)(4) unit and L ligand. Compound [Mn-2(L)(H2O)(2)] center dot 2H(2)O, 3, is built from trigonal-bipyramidal binuclear Mn-2(OOC)(3) units and octadentate L ligands, forming a binodal 5,5-connected 4(3).6(6).8 net. Compound (Mn(H2L)(DMA)(H2O)] center dot (DMA)(H2O), 4, is a two-dimensional (2D) layered structure made of 4-connecting mononuclear Mn atoms and half-deprotonated L ligands. N-2 gas adsorption measurements at 77 K showed that compounds 1, 2, and 4 possess permanent porosities.

  DOI：

  10.1021/cg200229h

文献信息

• A multifunctional four-fold interpenetrated coordination polymer: Quantifiable evaluation of luminescent sensing for Cr(VI)/Cu(II) and photocatalytic properties
  作者：Xiang-Min Meng、Yuan-Cheng Li、Ke-Rui Huang、Jin-Qiao Long、Lian-Sheng Cui

  DOI：10.1016/j.ica.2018.06.019

  日期：2018.10

  and thermogravimetric (TG) analysis, and it shows a 3D four-fold interpenetrated bbf-topological framework. Luminescence studies demonstrate that 1 has high selectivity and sensitivity for pollutant Cr(VI) (CrO42− and Cr2O72−) anion and Cu(II) cation; Photocatalytic studies show that 1 exhibits great degradation activity of four organic dyes (methylene blue (MB), Rhodamine B (RhB), Methyl orange (MO)

  摘要一种四重互穿配位聚合物[Zn2（L）（bibp）3]·DMF·H2O} n（1）（H4L = 5,5'-（联苯-4,4'-二基双（亚甲基））bis合理地构建了（bp）= 4,4'-双（咪唑基）联苯的（氧基）二间苯二甲酸，并成功地溶剂热合成。配合物1的特征在于单晶X射线衍射，元素分析，IR光谱，粉末X射线衍射（PXRD）和热重分析（TG）分析，并显示了3D四重互穿的bbf拓扑结构。发光研究表明1对污染物Cr（VI）（CrO42-和Cr2O72-）阴离子和Cu（II）阳离子具有较高的选择性和敏感性；光催化研究表明1具有四种有机染料（亚甲基蓝（MB），若丹明B（RhB），甲基橙（MO）和橙IV（OIV））的强大降解活性。同时，
• Syntheses and photocatalytic properties of two new d10- and d9-based 2D coordination polymers
  作者：Mengwei Dong、Lu Lu、Xueyan Tan、Baichao An、Ayushi Singh、Ahmad Alowais、Abdullah Alarifi、Abhinav Kumar、Mohd. Muddassir

  DOI：10.1016/j.ica.2019.119334

  日期：2020.3

  A new d m -based metal organic framework (MOF)1Zn(L)(0.5)(bpz)center dot 2H(2)O](n) (1) and another d(9)-based MOF [Cu-4(L)(2)(2,2'-bipy)(4)center dot 5H(2)O](n) (5,5'-(1,4-phenylenebis(methyleneoxy))diisophthalic acid (H4L) 3,3',5,5'-tetramethy1-4,4'-bipyrazole (bpz), 2,2'-bipyridine (2,2'-bipy)) were synthesized under solvothermal conditions and characterized. The single-crystal X-ray analyses showed that the CP 1 had an uncommon 2D network comprising two-fold interpenetrating unit. In contrast, 2 possess binodal (4,4)-connected topology having point symbol (4(2).6(4))(4)(6(4).8(2)). The photocatalytic properties for both frameworks showed that they can photodegrade methyl violet (MV) in UV light. The investigations indicated that both CPs possess good stability and displayed good efficiency as photocatalyst to degrade organic dye under UV light irradiation. The plausible mechanistic pathway through which these MOFs displayed photocatalysis have been suggested through band gap calculations.
• A combination of experiment and molecular simulation studies on a new metal-organic framework showing pH-triggered drug release
  作者：F. M. Wang、J. Wang、S. Z. Yang、C. Y. Gu、X. R. Wu、J. Q. Liu、H. Sakiyama、J. W. Xu、M. M. Luo、W. C. Liu

  DOI：10.1134/s1070328417020099

  日期：2017.2

  A new Co(II)-based complex [Co-2(L)(4,4'-Bipy)(2)] center dot CH3CN} (n) (I) (H4L = 5,5'-(biphenyl-4,4'- diyl-bis(methylene))bis(oxy)diisophthalic acid, 4,4'-Bipy = 4,4'-bipyridine) has been synthesized and structurally characterized. Single-crystal X-ray analysis (CIF file CCDC no. 1406388) reveals that compound I has 3D pcu topology. The incorporation of the drug 5-fluorouracil (5-FU) into the desolvated I was around 15.0 wt % of dehydrated I. Complex I also shows a pH-triggered controlled drug release property. In addition, we used semiempirical AM1 method to investigate the adsorption of 5-FU to I at the molecular level.