2-hydroxybenzoatotrimethyltin(IV) | 102539-24-2

• 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-hydroxybenzoatotrimethyltin(IV)
• CAS: 102539-24-2
• 化学式: C₁₀H₁₄O₃Sn
• 分子量: 300.929
• InChiKey: GYNNNKYBPYEWEG-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  2.38
• 重原子数：
  14.0
• 可旋转键数：
  2.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  46.53
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为产物：
  描述：

  三甲基氢氧化锡 、 水杨酸 以 甲苯 为溶剂， 以86%的产率得到2-hydroxybenzoatotrimethyltin(IV)
  参考文献：
  名称：

  Synthesis, characterization and biological activities of some new organotin(IV) derivatives: Crystal structure of [(Sn Ph3) (OOCC6H4OH)] and [(SnMe3)2 (OOC)2C6Cl4 (DMSO)2]

  摘要：

  Some new organotin(IV) carboxylates 1-3 of 2-hydroxybenzoic acid (LA) and 4-6 of 2,3,4,5-tetrachloro-6( methoxycarbonyl) benzoic acid (L-B) have been synthesized, respectively, by the esterification of triorganotin oxide/hydroxide with the corresponding acids in an appropriate mole ratios. Multinuclear NMR (H-1, C-13 and Sn-119), IR and X-ray crystallographic studies were carried out to elucidate their structures both in solution and in solid state. The X-ray crystallographic data for 3 was recollected at low temperature. The compound 4 was dissolved in DMSO and a new compound 4 center dot 2DMSO [(SnMe3)(2)(OOC)(2)C6Cl4(DMSO)(2)] was crystallized out. The structure shows that two Sn moieties are attached to the ligand (LB) through two carboxylic groups. The two molecules of DMSO are coordinated to each of the Sn atoms via oxygen atom to terminate the conventional polymeric chain of trimethyl carboxylates to a discrete molecule, having trigonal bipyramidal geometry around the Sn atoms. Some of the synthesized compounds exhibited significant antifungal activities and have a potential to be used as drugs. (C) 2008 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2008.06.027

文献信息

• Cytotoxic activity of organotin compounds containing non-steroidal anti-inflammatory drugs
  作者：T.A. Antonenko、Yu.A. Gracheva、D.B. Shpakovsky、M.A. Vorobyev、V.A. Tafeenko、D.M. Mazur、E.R. Milaeva

  DOI：10.1016/j.jorganchem.2021.122191

  日期：2022.2

  5. Compounds 6 and 7 were found to be monomers in the solid state with tetrahedron and octahedron geometry around Sn center, respectively. Cytotoxicity in vitro of compounds 1–7 and initial ligands was evaluated on human colon cancer (HCT-116), human breast cancer (MCF-7) and adenocarcinomic human alveolar basal epithelial (A-549) cells. The IC50 values varied in 0.17–200 µM range for compounds 1–4

  基于双氯芬酸L 1 Na和阿司匹林L 2 H的化学式Me 3 SnL 1 ( 1 ) 的两个系列有机锡 (IV) 配合物；Ph 3 SnL 1 ( 2 ); Bu 2 Sn(L 1 ) 2 ( 3 )；R 2 Sn(L 1 ) 2 ( 4，R  = 3,5-二-叔丁基-4-羟基苯基)；我3 SnL 2 (5 ); 合成了Me 3 Sn(2-羟基苯甲酸酯) ( 6 ) 和Me 2 Sn(L 2 ) 2 ( 7 )，并通过1 H、13 C、119 Sn NMR、IR、ESI-MS 和元素分析对其进行了表征。通过对化合物1的X射线衍射分析发现，双氯芬酸的羧基与两个锡原子结合，每个锡原子呈三角双锥几何结构，配位数为5。化合物6和7被发现是固态的单体，分别在 Sn 中心周围具有四面体和八面体几何形状。在人结肠癌 (HCT-116)、人乳腺癌 (MCF-7) 和腺癌人肺泡基底上皮 (A-549) 细胞