| 380216-93-3

• CAS: 380216-93-3；193674-07-6
• 化学式: C₉₂H₁₂₈N₄O₁₀Sn₄
• 分子量: 1924.89
• InChiKey: YTJHYDACAALONG-UHFFFAOYSA-J

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  扑湿痛 、 二正丁基氧化锡 以 苯 为溶剂， 以53%的产率得到
  参考文献：
  名称：

  Synthesis, crystal structures and spectroscopic studies of diorganotin derivatives with mefenamic acid. Crystal and molecular structures of 1,2:3,4-di-μ2-2-[(2,3-dimethylphenyl)amino]-benzoato-O,O-1,3-bis-2-[(-[(2,3-dimethylphenyl)amino]benzoato-O-1,2,4:2,3,4-di-μ3-oxo-tetrakis[di-methyltin(IV)] and 1,2:3,4-di-μ2-2-[(-[(-[(2,3-dimethylphenyl)amino]-benzoato-O,O-1,3-bis-2-[(-[(-[(2,3-dimethylphenyl)amino]benzoato-O-1,2,4:2,3,4-di-μ3-oxo-tetrakis[di-n-butyltin(IV)]

  摘要：

  The complexes [Me2LSnOSnLMe2](2) (1) and [Bu2LSnOSnLBu2](2) (2) where HL is 2-[(2,3-dimethylphenyl)amino]benzoic acid (mefenamic acid), have been prepared and structurally characterized by means of Sn-119 Mossbauer, vibrational and NMR (H-1 and C-13) spectroscopies. The crystal structures of complexes 1 and 2 have been determined by X-ray crystallography. Each structure is centro-symmetric and features a central rhombus Sn2O2 unit with two additional tin atoms linked at the O atoms. Pairs of tin atoms are bridged by bidentate carboxylate ligands and the 'external' tin atoms have their coordination geometry completed by a bridging bidentate carboxylate ligand for 1 and by a monodentate carboxylate ligand for 2. Five rings, each containing two tin atoms, are present in the dimeric tetraorganodistannoxane 1 and the geometry around the four tin centers is distorted octahedral for Sn(2) and Sn(2a) and trigonal bipyramidal for Sn(1) and Sn(1a). Three such rings are present in 2 and the geometry around the four five-coordinated tin centers, Sn(1), Sn(1a), Sn(2) and Sn(2a), is distorted square-bipyramidal. Significant pi --> pi, C-H --> pi stacking interactions and intramolecular hydrogen bonds stabilize structures 1 and 2. The polar imino hydrogen atom participates in intramolecular hydrogen bonds. Complexes 1 and 2 are self-assembled via pi --> pi, C-H --> pi and stacking interactions. (C) 2001 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0022-328x(01)01026-9

文献信息

• ¹H,¹³C,¹¹⁹Sn NMR,^119mSn Mössbauer, Infrared and Mass Spectrometric Studies of Organotin Carboxylates of 2-(2,3-dimethylphenyl)Aminobenzoic Acid and their Effect on Microorganisms.
  作者：Muhammad Danish、Saqib Ali、Amin Badshah、Muhammad Mazhar、Hajra Masood、Abdul Malik、Gerald Kehr

  DOI：10.1080/00945719708000234

  日期：1997.7

  The synthesis of a new series of organotin carboxylates of 2-(2,3-dimethylphenyl)aminobenzoic acid is reported. Multinuclear NMR (H-1, C-13, Sn-119) data have been used as a tool for determining their structures in non-coordinating solvents. Solid state structures have been proposed on the basis of IR and Mossbauer parameters. 2D NMR has been used for the assignments of high-spin systems. Screening tests of these compounds showed that they are highly active against bacteria and fungi.