5'-(4-羧苯基)-2'-羟基-[1,1':3',1''-三苯基]-4,4''-二羧酸 | 1353118-75-8

• 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: 5'-(4-羧苯基)-2'-羟基-[1,1':3',1''-三苯基]-4,4''-二羧酸
• 英文名称: 5'-(4-carboxyphenyl)-2'-hydroxy-[1,1':3',1''-terphenyl]-4,4''-dicarboxylic acid
• 英文别名: 2,4,6-tris-(4-carboxyphenyl)phenol；1,3,5-(tri-benzoic acid)phenol；[1,1':3',1''-Terphenyl]-4,4''-dicarboxylic acid, 5'-(4-carboxyphenyl)-2'-hydroxy-；4-[3,5-bis(4-carboxyphenyl)-4-hydroxyphenyl]benzoic acid
• CAS: 1353118-75-8
• 化学式: C₂₇H₁₈O₇
• 分子量: 454.436
• InChiKey: QTOQRCNXHQVRPO-UHFFFAOYSA-N

物化性质

• 沸点：
  700.0±55.0 °C(Predicted)
• 密度：
  1.414±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  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：
  132
• 氢给体数：
  4
• 氢受体数：
  7

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

反应信息

• 作为反应物：
  描述：

  aluminum(III) nitrate nonahydrate 、 5'-(4-羧苯基)-2'-羟基-[1,1':3',1''-三苯基]-4,4''-二羧酸 、 N,N-二甲基甲酰胺 、 lithium hydroxide 以 水 为溶剂， 反应 10.0h， 以2.21 g的产率得到
  参考文献：
  名称：

  EP2586766

  摘要：

  公开号：
• 作为产物：
  描述：

  三溴苯酚 在 palladium diacetate 、 sodium carbonate 、 potassium hydroxide 作用下， 以 四氢呋喃 、 甲醇 、 水 、 N,N-二甲基甲酰胺 为溶剂， 生成 5'-(4-羧苯基)-2'-羟基-[1,1':3',1''-三苯基]-4,4''-二羧酸
  参考文献：
  名称：

  Structure-Assisted Functional Anchor Implantation in Robust Metal–Organic Frameworks with Ultralarge Pores

  摘要：

  A facile functionalization assisted by the structural attributes of PCN-333 has been studied while maintaining the integrity of the parent MOF including ultralarge pores, chemical robustness, and crystallinity. Herein we thoroughly analyzed ligand exchange phenomena in PCN-333 and demonstrate that the extent of exchange can be tailored by varying the exchange conditions as potential applications may require. Through this method a variety of functional groups are incorporated into PCN-333. To further show the capabilities of this system introduction of a BODIPY fluorophore as a secondary functionality was performed to the functionalized framework via a click reaction. We anticipate the PCN-333 with functional anchor can serve as a stable platform for further chemistry to be explored in future applications

  DOI：

  10.1021/ja5123528

文献信息

• Aluminum Metal Organic Framework Materials
  申请人：TEXAS A&M UNIVERSITY SYSTEM

  公开号：US20150152123A1

  公开（公告）日：2015-06-04

  The invention relates to monocrystalline single crystals of metal-organic framework materials comprising at least one aluminium metal ion, processes for preparing the same, methods for employing the same, and the use thereof. The invention also relates to monocrystalline aluminium metal-organic frameworks.

  该发明涉及至少含有一种铝金属离子的金属-有机框架材料的单晶单晶体，以及其制备方法、使用方法和用途。该发明还涉及单晶铝金属-有机框架。
• The photoluminescence and gas sorption properties of three Cd(ii) MOFs based on 1,3,5-benzenetribenzoate with –NH2 or –OH groups
  作者：Hong-Ru Fu、Fei Wang、Jian Zhang

  DOI：10.1039/c3dt52940a

  日期：——

  The functionalization and modification of the ligand 1,3,5-tris(4-carboxyphenyl)benzene (H3BTB) have been realized with amine (NH2-H3BTB) and hydroxy (HO-H3BTB) groups. Three new Cd(II) compounds based on R-H3BTB ligands (R = –NH2 and –OH) have been synthesized and structurally characterized. Compounds 1 and 2 show pillared-layer frameworks and display strong fluorescence emission ability. Compound 3 features a 3D porous framework with trinuclear Cd units linked by the NH2-BTB ligand. The activated framework of 3 has good gas storage and separation properties for CO2 and hydrocarbons.

  配体1,3,5-三(4-羧基苯基)苯(H3BTB)的官能化和修饰已通过胺基(NH2-H3BTB)和羟基(HO-H3BTB)实现。合成了三种基于 R-H3BTB 配体（R = -NH2 和 -OH）的新 Cd(II) 化合物并进行了结构表征。化合物1和2显示出柱层框架并表现出很强的荧光发射能力。化合物 3 具有 3D 多孔框架，其中三核 Cd 单元通过 NH2-BTB 配体连接。 3的活化骨架对CO2和碳氢化合物具有良好的气体储存和分离性能。
• POROUS COORDINATION POLYMER, PROCESS FOR PRODUCING SAME, GAS STORAGE METHOD, AND GAS SEPARATION METHOD
  申请人：Watanabe Daisuke

  公开号：US20130129608A1

  公开（公告）日：2013-05-23

  The porous coordination polymer of the invention contains metal complexes formed by coordination bonding between a trivalent metal ion and an aromatic tricarboxylic acid represented by formula (1). The porous coordination polymer also has a pore structure formed by integration of a plurality of the metal complexes. [In formula (1), n represents an integer of 0 to 4.]

  本发明的多孔配位聚合物包含由三价金属离子和式（1）所代表的芳香三羧酸之间的配位键形成的金属配合物。该多孔配位聚合物还具有由多个金属配合物集成形成的孔结构。[在式（1）中，n代表0到4之间的整数。]
• POROUS METAL COMPLEX, PROCESS FOR PRODUCING SAME, GAS STORAGE METHOD, AND GAS SEPARATION METHOD
  申请人：JX Nippon Oil & Energy Corporation

  公开号：EP2586766A1

  公开（公告）日：2013-05-01

  The porous coordination polymer of the invention contains metal complexes formed by coordination bonding between a trivalent metal ion and an aromatic tricarboxylic acid represented by formula (1). The porous coordination polymer also has a pore structure formed by integration of a plurality of the metal complexes. [In formula (1), n represents an integer of 0 to 4.]

  本发明的多孔配位聚合物含有三价金属离子与芳香族三羧酸之间通过配位键形成的金属络合物，其代表式为(1)。多孔配位聚合物还具有由多个金属络合物整合形成的孔隙结构。 [在式 (1) 中，n 代表 0 至 4 的整数。］
• ALUMINIUM METAL ORGANIC FRAMEWORK MATERIAL
  申请人：The Texas A&M University System

  公开号：EP3514159A1

  公开（公告）日：2019-07-24

  The invention relates to single crystals of metal-organic framework materials comprising at least one aluminium metal ion, processes for preparing the same, methods for employing the same, and the use thereof. The invention also relates to monocrystalline or polycrystalline aluminium metal-organic frameworks.

  本发明涉及包含至少一种铝金属离子的金属有机框架材料单晶、制备工艺、使用方法及其用途。本发明还涉及单晶或多晶铝金属有机框架。