sodium 5-[(E)-2-(4-methylphenyl)-1-diazenyl]-2-hydroxybenzoate | 862972-80-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 偶氮苯
• 英文名称: sodium 5-[(E)-2-(4-methylphenyl)-1-diazenyl]-2-hydroxybenzoate
• CAS: 862972-80-3
• 化学式: C₁₄H₁₁N₂O₃*Na
• 分子量: 278.243
• InChiKey: FIKFBPUQGZBGTK-GEEYTBSJSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -0.52
• 重原子数：
  20.0
• 可旋转键数：
  3.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  85.08
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  sodium 5-[(E)-2-(4-methylphenyl)-1-diazenyl]-2-hydroxybenzoate 、 三甲基氯化锡 以 甲醇 为溶剂， 以40%的产率得到Me3Sn(5-[(E)-2-(4-methylphenyl)-1-diazenyl]-2-hydroxybenzoate)
  参考文献：
  名称：

  Synthesis, spectra, and crystal structures of the triorganotin(IV) 5-[(E)-2-(4-methylphenyl)-1-diazenyl]-2-hydroxybenzoates (Me3Sn{O2CC6H3-p-OH[NN(C6H4-4-CH3)]})n, Et3Sn{O2CC6H3-p-OH[NN(C6H4-4-CH3)]}OH2, and Bz3Sn{O2CC6H3-p-OH[NN(C6H4-4-CH3)]}

  摘要：

  The crystal structures of three triorganotin(IV) 5-[(E)-2-(4-methylphenyl)-1-diazenyl]-2-hydroxybenzoates, viz., (Me3Sn{O2CC6H3-p-OH[N=N(C6H4-4-CH3)]})(n) (1), Et3Sn{O2CC6H3-p-OH[N=N(C6H4-4-CH3)]}OH2 (2), and Bz(3)Sn{O2CC6H3-p-OH[N=N(C6H4-4-CH3)]} (3), have been determined. In the solid state, complex 1 exists as a one-dimensional polymer where a single benzoate ligand bridges adjacent Sn-centers. The Sn-atom is trigonal bipyramidal with the methyl ligands in the equatorial plane and the axial positions being occupied by the carboxyl O-atom from the carboxylate group of one benzoate ligand and the hydroxy O-atom of an adjacent ligand. Complex 2 exists as a monomeric molecule in which the Sn-atom has a slightly distorted trigonal bipyramidal coordination geometry with three ethyl ligands occupying equatorial positions, while the axial positions are occupied by an O-atom of a water molecule and a carboxylate O-atom. Complex 3 has a distorted tetrahedral geometry. The interpretations of the structures are augmented by IR, NMR (H-1, C-13, Sn-119), and Sn-119m Mossbauer experiments. (c) 2007 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2007.04.002

文献信息

• Synthesis and characterization of the first diorganotin(IV) complexes containing mixed arylazobenzoic acids and having skew trapezoidal bipyramidal geometry
  作者：Tushar S. Basu Baul、Wandondor Rynjah、Eleonora Rivarola、Claudio Pettinari、Anthony Linden

  DOI：10.1016/j.jorganchem.2004.12.013

  日期：2005.3

  toluene or by reacting Me2SnCl2, LaHNa and LbHNa (1:1:1) in anhydrous methanol. The products were characterized by microanalysis, IR, NMR (1H, 13C, 119Sn) and 119mSn Mössbauer spectroscopy. A full characterization of the structures of the complexes [nBu2Sn(LaH)(LbH)] (1 and 2) and [Me2Sn(LaH)(LbH)] (3) in the solid state were accomplished by single crystal X-ray crystallography. These complexes were found

  三种类型的[R 2 Sn（L a H）（L b H）]（R =  n Bu或Me和，L a H和L b H是两种不同的二有机锡（IV）配合物是两个不同的5-[（E）通过以下方法制备了-2-（芳基）-1-二氮烯基] -2-羟基苯甲酸酯残基； a：芳基＝ 4′-Cl-（保持恒定）和b：芳基＝ 4′-Me或4′-Br）。使n Bu 2 SnO，L a HH'和L b HH'（1：1：1）在无水甲苯中反应或通过使Me 2 SnCl 2，L a HNa和L b HNa（1：1：1）在无水甲醇中反应。产物通过微分析，IR，NMR（1 H，13 C，119 Sn）和119m Sn的Mössbauer光谱。化合物[ n Bu 2 Sn（L a H）（L b H）]（1和2）和[Me 2 Sn（L a H）（L b H）]（3）的结构的完整表征固态是通过单晶X射线晶体学完成的。发现这些配合物采用通常的二羧基