4,4'-(4,5-dimethoxy-1,2-phenylene)bis(ethyne-2,1-diyl)dibenzoic acid | 1258419-76-9

• 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: 4,4'-(4,5-dimethoxy-1,2-phenylene)bis(ethyne-2,1-diyl)dibenzoic acid
• 英文别名: 4-[2-[2-[2-(4-Carboxyphenyl)ethynyl]-4,5-dimethoxyphenyl]ethynyl]benzoic acid；4-[2-[2-[2-(4-carboxyphenyl)ethynyl]-4,5-dimethoxyphenyl]ethynyl]benzoic acid
• CAS: 1258419-76-9
• 化学式: C₂₆H₁₈O₆
• 分子量: 426.425
• InChiKey: KUTIEZRWGHRGOL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  32
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  93.1
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  diethyl 4,4'-(4,5-dimethoxy-1,2-phenylene)bis(ethyne-2,1-diyl)dibenzoate 在 sodium hydroxide 、 盐酸 作用下， 以 四氢呋喃 、 甲醇 、 水 为溶剂， 以95%的产率得到4,4'-(4,5-dimethoxy-1,2-phenylene)bis(ethyne-2,1-diyl)dibenzoic acid
  参考文献：
  名称：

  Ligand Bridging-Angle-Driven Assembly of Molecular Architectures Based on Quadruply Bonded Mo−Mo Dimers

  摘要：

  A systematic exploration of the assembly of Mo-2(O2C-)(4)-based metal-organic molecular architectures structurally controlled by the bridging angles of rigid organic linkers has been performed. Twelve bridging dicarboxylate ligands were designed to be of different sizes with bridging angles of 0, 60, 90, and 120 degrees while incorporating a variety of nonbridging functional groups, and these ligands were used as linkers. These dicarboxylate linkers assemble with quadruply bonded Mo-Mo clusters acting as nodes to give 13 molecular architectures, termed metal-organic polygons/polyhedra with metal cluster node arrangements of a linear shape, triangle, octahedron, and cuboctahedron/anti-cuboctahedron. The syntheses of these complexes have been optimized and their structures determined by single-crystal X-ray diffraction. The results have shown that the shape and size of the resulting molecular architecture can be controlled by tuning the bridging angle and size of the linker, respectively. Functionalization of the linker can adjust the solubility of the ensuing molecular assembly but has little or no effect on the geometry of the product. Preliminary gas adsorption, spectroscopic, and electrochemical properties of selected members were also studied. The present work is trying to enrich metal-containing supramolecular chemistry through the inclusion of well-characterized quadruply bonded Mo-Mo units into the structures, which can widen the prospect of additional electronic functionality, thereby leading to novel properties.

  DOI：

  10.1021/ja1080794

文献信息

• Ligand Bridging-Angle-Driven Assembly of Molecular Architectures Based on Quadruply Bonded Mo−Mo Dimers
  作者：Jian-Rong Li、Andrey A. Yakovenko、Weigang Lu、Daren J. Timmons、Wenjuan Zhuang、Daqiang Yuan、Hong-Cai Zhou

  DOI：10.1021/ja1080794

  日期：2010.12.15

  A systematic exploration of the assembly of Mo-2(O2C-)(4)-based metal-organic molecular architectures structurally controlled by the bridging angles of rigid organic linkers has been performed. Twelve bridging dicarboxylate ligands were designed to be of different sizes with bridging angles of 0, 60, 90, and 120 degrees while incorporating a variety of nonbridging functional groups, and these ligands were used as linkers. These dicarboxylate linkers assemble with quadruply bonded Mo-Mo clusters acting as nodes to give 13 molecular architectures, termed metal-organic polygons/polyhedra with metal cluster node arrangements of a linear shape, triangle, octahedron, and cuboctahedron/anti-cuboctahedron. The syntheses of these complexes have been optimized and their structures determined by single-crystal X-ray diffraction. The results have shown that the shape and size of the resulting molecular architecture can be controlled by tuning the bridging angle and size of the linker, respectively. Functionalization of the linker can adjust the solubility of the ensuing molecular assembly but has little or no effect on the geometry of the product. Preliminary gas adsorption, spectroscopic, and electrochemical properties of selected members were also studied. The present work is trying to enrich metal-containing supramolecular chemistry through the inclusion of well-characterized quadruply bonded Mo-Mo units into the structures, which can widen the prospect of additional electronic functionality, thereby leading to novel properties.