4,4'-(pyridine-2,5-diyl)dibenzoic acid | 30249-86-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 4,4'-(pyridine-2,5-diyl)dibenzoic acid
• 英文别名: 4-[6-(4-carboxyphenyl)pyridin-3-yl]benzoic acid
• CAS: 30249-86-6
• 化学式: C₁₉H₁₃NO₄
• 分子量: 319.317
• InChiKey: UOAKBLHTDRACTP-UHFFFAOYSA-N

物化性质

• 熔点：
  262-264 °C
• 沸点：
  497.1±24.0 °C(Predicted)
• 密度：
  1.266±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  24
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  87.5
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  1,10-菲罗啉 、 manganese(II) chloride tetrahydrate 、 4,4'-(pyridine-2,5-diyl)dibenzoic acid 、 水 在 sodium hydroxide 作用下， 反应 72.0h， 以65%的产率得到[Mn(4,4'-(pyridine-2,5-diyl)dibenzoate)(hydro-4,4'-(pyridine-2,5-diyl)dibenzoate)(1,10-phenanthroline)₂]₂·2H₂O
  参考文献：
  名称：

  4,4′-(Pyridine-2,5-diyl)dibenzoic acid as a building block for Cd(II) and Mn(II) coordination compounds: Synthesis, structural features and properties

  摘要：

  Two new coordination compounds, namely a 3D metal-organic framework (MOF) {[Cd-2(L)(2)(phen)(2)]center dot H2O}(n) (1) and a discrete 0D dimer [Mn(L)(0.5)(HL)(phen)(2)](2)center dot 2H(2)O (2), were generated by a hydrothermal method from the metal(II) chlorides, 4,4'-(pyridine-2,5-diyl)dibenzoic acid (H2L) as a main building block, and an ancillary 1,10-phenanthroline (phen) ligand. The products 1 and 2 were characterized by IR spectroscopy, elemental, thermogravimetric, and single-crystal X-ray diffraction analyses. Compound 1 possesses an intricate 3D metal-organic framework based on tetracadmium(II) double-helicate units which, after simplification, resulted in a 4-fold interpenetrated underlying net with the dia topology. Compound 2 features a dimeric molecular structure, which is extended (0D -> 1D) by hydrogen bonds into a 1D double chain network. It was topologically classified as a simple 3-connected ladder with the SP 1-periodic net (4,4)(0,2) topology. The luminescent (for 1) and magnetic (for 2) properties were also investigated and discussed. (C) 2015 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2015.06.010

文献信息

• 4,4′-(Pyridine-2,5-diyl)dibenzoic acid as a building block for Cd(II) and Mn(II) coordination compounds: Synthesis, structural features and properties
  作者：Yu Li、Qiang Zhou、Xun-Zhong Zou、Jin-Zhong Gu、Bo Chen、Alexander M. Kirillov

  DOI：10.1016/j.ica.2015.06.010

  日期：2015.8

  Two new coordination compounds, namely a 3D metal-organic framework (MOF) [Cd-2(L)(2)(phen)(2)]center dot H2O}(n) (1) and a discrete 0D dimer [Mn(L)(0.5)(HL)(phen)(2)](2)center dot 2H(2)O (2), were generated by a hydrothermal method from the metal(II) chlorides, 4,4'-(pyridine-2,5-diyl)dibenzoic acid (H2L) as a main building block, and an ancillary 1,10-phenanthroline (phen) ligand. The products 1 and 2 were characterized by IR spectroscopy, elemental, thermogravimetric, and single-crystal X-ray diffraction analyses. Compound 1 possesses an intricate 3D metal-organic framework based on tetracadmium(II) double-helicate units which, after simplification, resulted in a 4-fold interpenetrated underlying net with the dia topology. Compound 2 features a dimeric molecular structure, which is extended (0D -> 1D) by hydrogen bonds into a 1D double chain network. It was topologically classified as a simple 3-connected ladder with the SP 1-periodic net (4,4)(0,2) topology. The luminescent (for 1) and magnetic (for 2) properties were also investigated and discussed. (C) 2015 Elsevier B.V. All rights reserved.