(2-[(2,3-dimethylphenyl)amino]benzoato-O:O')trimethyltin(IV) | 185337-51-3

• 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: (2-[(2,3-dimethylphenyl)amino]benzoato-O:O')trimethyltin(IV)
• 英文别名: Trimethylstannyl 2-(2,3-dimethylanilino)benzoate
• CAS: 185337-51-3
• 化学式: C₁₈H₂₃NO₂Sn
• 分子量: 404.096
• InChiKey: YGGDYDDAVRMLEA-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  5.04
• 重原子数：
  22
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  38.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  [Ag(mefenamato)]n 、 三甲基氯化锡 以 not given 为溶剂， 生成 (2-[(2,3-dimethylphenyl)amino]benzoato-O:O')trimethyltin(IV)
  参考文献：
  名称：

  {2-[(2,3-Dimethylphenyl)amino]benzoato-O:O'}-trimethyltin(IV)

  摘要：

  In the title compound, [Sn(C15H14NO2)(CH3)(3)], the Sn atom has a distorted trigonal bipyramidal coordination. The three bonds to methyl groups in the equatorial plane have almost the same values [Sn-C range 2.106 (3)-2.113 (4) Angstrom], but the Sn-O bonds in the axial positions involving one carboxyl O atom [Sn1-O1 2.153 (2) Angstrom] and another symmetry-related carboxyl O atom in the trans position [Sn1-O2 2.495 (2) Angstrom] have quite different values, The O1-Sn1-O2 angle is 173.60 (8)degrees. Each trimethyltin group bridges two neighbouring 2-[(2,3-dimethylphenyl)amino]benzoate ligands via carboxyl moieties to form polymeric chains.

  DOI：

  10.1107/s0108270196013157

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.