2,2'-二甲基-4,4'-联苯二甲酸 | 117490-52-5

• 物质功能分类: 有机原料 - 羧酸类化合物及衍生物
• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2,2'-二甲基-4,4'-联苯二甲酸
• 英文名称: 2,2'-dimethylbiphenyl-4,4'-dicarboxylic acid
• 英文别名: 2,2'-dimethyl-[1,1'-biphenyl]-4,4'-dicarboxylic acid；2,2'-Dimethyl-4,4'-biphenyldicarboxylic acid；4-(4-carboxy-2-methylphenyl)-3-methylbenzoic acid
• CAS: 117490-52-5
• 化学式: C₁₆H₁₄O₄
• 分子量: 270.285
• InChiKey: VUYFKAXNJXFNFA-UHFFFAOYSA-N

物化性质

• 沸点：
  452.4±45.0 °C(Predicted)
• 密度：
  1.272±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  74.6
• 氢给体数：
  2
• 氢受体数：
  4

安全信息

• 危险性防范说明：
  P261,P280,P301+P312,P302+P352,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335
• 储存条件：
  2-8℃

反应信息

• 作为反应物：
  描述：

  2,2'-二甲基-4,4'-联苯二甲酸 、 氯化锆(IV) 在 三氟乙酸 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 72.0h， 以68%的产率得到
  参考文献：
  名称：

  Sequential Linker Installation: Precise Placement of Functional Groups in Multivariate Metal–Organic Frameworks

  摘要：

  A unique strategy, sequential linker installation (SLI), has been developed to construct multivariate MOFs with functional groups precisely positioned. PCN-700, a Zr-MOF with eight-connected Zr6O4(OH)(8)(H2O)(4) clusters, has been judiciously designed; the Zr-6 clusters in this MOF are arranged in such a fashion that, by replacement of terminal OH-/H2O ligands, subsequent insertion of linear dicarboxylate linkers is achieved. We demonstrate that linkers with distinct lengths and functionalities can be sequentially installed into PCN-700. Single-crystal to single-crystal transformation is realized so that the positions of the subsequently installed linkers are pinpointed via single-crystal X-ray diffraction analyses. This methodology provides a powerful tool to construct multivariate MOFs with precisely positioned functionalities in the desired proximity, which would otherwise be difficult to achieve.

  DOI：

  10.1021/ja512762r
• 作为产物：
  描述：

  4-溴-3-甲基苯甲酸甲酯 在 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 potassium acetate 、 cesium fluoride 、 potassium hydroxide 作用下， 以 1,4-二氧六环 、 乙醇 、 水 、 二甲基亚砜 为溶剂， 反应 99.0h， 生成 2,2'-二甲基-4,4'-联苯二甲酸
  参考文献：
  名称：

  多样化多功能低聚芳烃和杂芳烃的模块化合成：量身定制 - 功能材料分子

  摘要：

  描述了通过逐步钯催化硼酸化/Suzuki-Miyaura 交叉偶联反应模块化合成多功能联苯、三联苯和更高级的线性低聚苯二甲酸和吡啶封端的低聚芳烃。几个不同的官能团如叠氮化物、羟基和炔烃，以及在战略位置结合在单个低聚芳烃分子单元中的配位官能端基团（羧酸或吡啶）的存在提供了有利的双重用途。首先，这些化合物可以在复杂多孔晶体材料的构建中用作有用的分子砖（双位有机连接体）。其次，组装成晶体配位网络后，连接子骨架内的正交功能位点从应用角度提供了巨大的潜力，因为它们可以通过广泛的合成后修饰进行修饰，包括叠氮化物-炔烃点击化学。这允许进一步定制超分子组件以产生新型多功能材料。

  DOI：

  10.1002/ejoc.201801232

文献信息

• ORGANIC/INORGANIC HYBRID NANOPARTICULATES MADE FROM IRON CARBOXYLATES
  申请人：Horcajada-Cortes Patricia

  公开号：US20100209354A1

  公开（公告）日：2010-08-19

  The invention relates to nanoparticles made from organometallic hybrid materials made from iron carboxylates, used for example as contrast agents. The particles can also be used for the encapsulation and vectoring of molecules of interest such as active3 pharmaceutical agents, cosmetically interesting compounds and markers. Apart from the intrinsic properties thereof for imaging, said nanoparticles give good results in terms of capacity for loading with medicaments and in biocompatibility.

  该发明涉及由铁羧酸盐制成的有机金属混合材料制成的纳米颗粒，例如用作对比剂。这些颗粒还可用于封装和导向感兴趣的分子，如活性药物、具有化妆品特性的化合物和标记物。除了其成像的固有特性外，这些纳米颗粒在药物载荷能力和生物相容性方面也表现出良好的结果。
• Flexible Zirconium MOFs as Bromine-Nanocontainers for Bromination Reactions under Ambient Conditions
  作者：Jiandong Pang、Shuai Yuan、Dongying Du、Christina Lollar、Liangliang Zhang、Mingyan Wu、Daqiang Yuan、Hong-Cai Zhou、Maochun Hong

  DOI：10.1002/anie.201709186

  日期：2017.11.13

  and applied to reversible bromine encapsulation and release. The chemical stability of these Zr‐MOFs ensures the framework's integrity during the bromine adsorption, while the framework's flexibility allows for structural adaptation upon bromine uptake to afford stronger host–guest interactions and therefore higher bromine adsorption capacities. The flexible MOFs act as bromine‐nanocontainers which elongate

  合成了一系列灵活的MOF（PCN-605，PCN-606和PCN-700），并将其应用于可逆溴的封装和释放。这些Zr-MOF的化学稳定性可确​​保框架在溴吸附过程中的完整性，而框架的灵活性则可根据溴的吸收进行结构调整，以提供更强的主体-客体相互作用，从而提高溴的吸附能力。柔性MOF用作溴-纳米容器，可延长挥发性卤化物在环境条件下的存储时间。此外，与液体溴相比，溴预吸附的柔性MOF可用作溴化反应的通用溴源，可在环境条件下提高收率和选择性。
• REDUCIBLE POROUS CRYSTALLINE HYBRID SOLID FOR THE SEPARATION OF MIXTURES OF MOLECULES HAVING DIFFERENT DEGREES AND/OR A DIFFERENT NUMBER OF UNSATURATIONS
  申请人：Serre Christian

  公开号：US20110172412A1

  公开（公告）日：2011-07-14

  The present invention relates to reducible porous crystalline solids, constituted of a metal-organic framework (MOF), for the separation of mixtures of molecules having different unsaturation degrees and/or a different number of unsaturations with a selectivity that can be adjusted by controlling the reduction of the MOF. The MOF solids of the present invention, after reduction, have a strong affinity for molecules containing at least one unsaturation. They can be used in various separation processes, especially those relating to hydrocarbons.

  本发明涉及可还原的多孔晶体固体，由金属有机框架（MOF）构成，用于分离具有不同不饱和度和/或不同不饱和度数量的分子混合物，并且可以通过控制MOF的还原来调节选择性。本发明的MOF固体在还原后对至少含有一个不饱和度的分子具有很强的亲和力。它们可以用于各种分离过程，特别是与烃有关的过程。
• MODIFIER FOR AROMATIC POLYESTER AND AROMATIC POLYESTER RESIN COMPOSITION COMPRISING THE SAME
  申请人：TABATA Masayoshi

  公开号：US20110224343A1

  公开（公告）日：2011-09-15

  The present invention provides a modifier for aromatic polyesters which enhances the melt fluidity of aromatic polyesters without a significant decrease in the heat resistance of the aromatic polyesters, and an aromatic polyester resin composition including the modifier for aromatic polyesters. The present invention relates to a modifier for aromatic polyesters comprising polyhydric phenol residues and residues of aromatic polycarboxylic acid, acid halide or acid anhydride thereof, and the modifier comprises a material having a structure composed of a first residue selected from the group consisting of divalent residues represented by Formula (I): —Ar—W 1 x —Ar— and by Formula (II): —Ar—, the first residues being bonded to two identical or different second residues selected from the group consisting of monovalent residues represented by Formula (III): and monovalent residues represented by Formula (IV): —O—C(O)—R 7 —.

  本发明提供了一种用于芳香族聚酯的改性剂，可以增强芳香族聚酯的熔融流动性，而不明显降低芳香族聚酯的耐热性，以及包括该改性剂的芳香族聚酯树脂组合物。本发明涉及一种用于芳香族聚酯的改性剂，包括多羟基酚残基和芳香族多羧酸、酸卤或其酸酐残基，该改性剂包括具有以下结构的材料：第一残基，选择自由式(I)所代表的二价残基：—Ar—W1x—Ar—和自由式(II)所代表的：—Ar—，第一残基与选择自由式(III)所代表的单价残基：和自由式(IV)所代表的单价残基：—O—C(O)—R7—的两个相同或不同的第二残基结合。
• SOLID INORGANIC/ORGANIC HYBRID WITH MODIFIED SURFACE
  申请人：Horcajada-Cortes Patricia

  公开号：US20100226991A1

  公开（公告）日：2010-09-09

  The invention relates to solid organometallic hybrids with modified surface. Said solid may be used for example for the encapsulation and vectoring of molecules of interest such as active pharmaceutical agents, compounds of interest in cosmetics and markers, for example, contrast agents. Said solids show good results in terms of loading capacity in medicament agents and in biocompatibility.

  该发明涉及具有改性表面的固体有机金属杂化物。所述固体可以用于例如封装和载体化感兴趣的分子，如活性药物剂、化妆品中感兴趣的化合物和标记物，例如对比剂。所述固体在药物剂的装载能力和生物相容性方面表现出良好的结果。