diethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isophthalate | 1309982-02-2

• 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: diethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isophthalate
• 英文别名: diethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzene-dicarboxylate；Diethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isophthalate；diethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-1,3-dicarboxylate
• CAS: 1309982-02-2
• 化学式: C₁₈H₂₅BO₆
• 分子量: 348.204
• InChiKey: YRVOWWXURFFYNW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.34
• 重原子数：
  25
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  71.1
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  diethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isophthalate 、 4,4′-dibromoazobenzene 在 四(三苯基膦)钯 、 caesium carbonate 作用下， 以 1,4-二氧六环 为溶剂， 反应 72.0h， 以78%的产率得到(E)-4',4'''-(diazene-1,2-diyl)bis(([1,1'-biphenyl]-3,5-dicarboxylic acid))
  参考文献：
  名称：

  Azobenzene Decorated NbO-Type Metal–Organic Framework for High-Capacity Storage of Energy Gases

  摘要：

  Herein, a microporous NbO-type framwork (FJI-H23) that showed outstanding surface area (3740.4 m²·g^-1) was fabricated by utilizing an azobenzene-derived carboxylate ligand. As anticipated, FJI-H23 can store 2.35 wt % H₂ at 77 K up to 1 bar. Furthermore, FJI-H23 exhibits high-capacity storage of C2 and C3 hydrocarbons at room temperature. Especially, the uptake amount of C₃H₈ is 325.76 cm³·g^-1 at 298 K, which represents the new record of C₃H₈ adsorption capacity in the MOFs materials. In addition, FJI-H23 exhibits excellent gravimetric total uptake of 332 cm³·g^-1 at 298 K and 65 bar.

  DOI：

  10.1021/acs.inorgchem.9b01205
• 作为产物：
  描述：

  diethyl 5-aminoisophthalate 在 盐酸 、 potassium acetate 、 palladium diacetate 、 sodium nitrite 作用下， 以 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 28.75h， 生成 diethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isophthalate
  参考文献：
  名称：

  [EN] Chromium Metal Organic Frameworks and Synthesis of Metal Organic Frameworks
  [FR] STRUCTURES ORGANOMÉTALLIQUES À BASE DE CHROME ET SYNTHÈSE DE STRUCTURES ORGANOMÉTALLIQUES

  摘要：

  本发明涉及含有铬离子和羧酸配体的单晶金属有机框架，以及其用途，例如用于储存气体。该发明还涉及制备含有铬、钛或铁离子和羧酸配体的金属有机框架的方法。本发明的方法允许制备这些金属有机框架以单晶或多晶形式存在。

  公开号：

  WO2015173553A1

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。
• Isostructural Metal-Organic Frameworks Assembled from Functionalized Diisophthalate Ligands through a Ligand-Truncation Strategy
  作者：Yangyang Liu、Jian-Rong Li、Wolfgang M. Verdegaal、Tian-Fu Liu、Hong-Cai Zhou

  DOI：10.1002/chem.201203297

  日期：2013.4.26

  Four isostructural metal–organic frameworks (MOFs) with various functionalized pore surfaces were synthesized from a series of diisophthalate ligands. These MOFs exhibit a new network topology of 4.64.8}242.64}64.82}266}. Hydrogen uptake as high as 2.67 wt % at 77 K/1 bar and CO2 uptake of 15.4 wt % at 297 K/1 bar have been observed for PCN‐308, which contains CF3 groups. The isostructural series

  由一系列二间苯二甲酸酯配体合成了具有各种功能化孔表面的四个同构金属-有机骨架（MOF）。这些MOF展现了4.6 4 .8} 2 4 2 .6 4 } 6 4 .8 2 } 2 6 6 }的新网络拓扑。高达2.67％（重量）在77 K / 1巴和CO氢吸收2在297 K / 1巴摄取的15.4％（重量）已观察到PCN-308，其含有 CF 3个基团。MOF的等结构系列还显示出CO 2对CH 4和N 2的合理吸附选择性。
• [EN] Chromium Metal Organic Frameworks and Synthesis of Metal Organic Frameworks<br/>[FR] STRUCTURES ORGANOMÉTALLIQUES À BASE DE CHROME ET SYNTHÈSE DE STRUCTURES ORGANOMÉTALLIQUES
  申请人：TEXAS A & M UNIV SYS

  公开号：WO2015173553A1

  公开（公告）日：2015-11-19

  The present invention relates to monocrystalline metal organic frameworks comprising chromium ions and carboxylate ligands and the use of the same, for example their use for storing a gas. The invention also relates to methods for preparing metal organic frameworks comprising chromium, titanium or iron ions and carboxylate ligands. The methods of the invention allow such metal organic frameworks to be prepared in monocrystalline or polycrystalline forms.

  本发明涉及含有铬离子和羧酸配体的单晶金属有机框架，以及其用途，例如用于储存气体。该发明还涉及制备含有铬、钛或铁离子和羧酸配体的金属有机框架的方法。本发明的方法允许制备这些金属有机框架以单晶或多晶形式存在。
• Unusual preservation of polyhedral molecular building units in a metal–organic framework with evident desymmetrization in ligand design
  作者：Yabo Xie、Hui Yang、Zhiyong U. Wang、Yangyang Liu、Hong-Cai Zhou、Jian-Rong Li

  DOI：10.1039/c3cc48089e

  日期：——

  A new porous metal–organic framework (MOF) with three types of preserved polyhedral molecular building units, all of which have been observed in a series of isostructural MOFs constructed from highly symmetrical hexacarboxylic ligands, was formed even from a pre-designed related tetracarboxylic ligand with drastically reduced symmetry.

  一种新的多孔金属有机框架（MOF）被形成，该框架具有三种类型的保留多面体分子构建单元，这些单元在一系列由高度对称的六羧酸配体构建的同构MOF中均有观察到，尽管它是从预设计的、对称性显著降低的四羧酸配体中构建的。
• [EN] POROUS MATERIALS CONTAINING BUILT-IN SINGLE MOLECULE TRAPS FOR SMALL MOLECULE CAPTURE<br/>[FR] MATÉRIAUX POREUX CONTENANT DES PIÈGES À MOLÉCULE UNIQUE INTÉGRÉS POUR LA CAPTURE DE PETITES MOLÉCULES
  申请人：TEXAS A & M UNIV SYS

  公开号：WO2013029830A1

  公开（公告）日：2013-03-07

  Provided herein are porous single-molecule trap materials with fixed pore sizes that are capable of trapping one molecule per cavity.

  本文提供了具有固定孔径的多孔单分子陷阱材料，能够在每个腔中捕获一种分子。