[(SnPh3)2(3-(4-methoxyphenyl)-2-sulfanylpropenoato)] | 874655-93-3

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 英文名称: [(SnPh3)2(3-(4-methoxyphenyl)-2-sulfanylpropenoato)]
• CAS: 874655-93-3
• 化学式: C₄₆H₃₈O₃SSn₂
• 分子量: 908.292
• InChiKey: VZYHZIITIATLAF-LCQAQQPQSA-L

物化性质

• 沸点：
  816.9±75.0 °C(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.65
• 重原子数：
  52.0
• 可旋转键数：
  12.0
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.02
• 拓扑面积：
  35.53
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  3-(4-methoxyphenyl)-2-sulfanylpropenoic acid 、 三苯基氢氧化锡 以 乙醇 、 丙酮 为溶剂， 以34%的产率得到[(SnPh3)2(3-(4-methoxyphenyl)-2-sulfanylpropenoato)]
  参考文献：
  名称：

  Synthesis, characterization and antibacterial activity of some new triphenyltin(IV) sulfanylcarboxylates: Crystal structure of [(SnPh3)2(p-mpspa)], [(SnPh3)2(cpa)] and [(SnPh3)2(tspa)(DMSO)]

  摘要：

  Five new triphenyltin(IV) sulfanylcarboxylates of the general formula [(SnPh3)(2)L] (L = pspa, tspa, fspa, p-mpspa or cpa, where p = 3-(2-phenyl)-, t = 3-(2-thienyl)-, f = 3-(2-furyl)-, p-mp = 3-(4-methoxyphenyl)-, spa = 2-sulfanylpropenoato and cpa = 2-cyclopentilyden-2-sulfanylacetate) have been synthesized by reacting triphenyltin(IV) hydroxide with the corresponding acid in ethanol/acetone. The complexes have been characterized by elemental analysis and mass spectrometry and by vibrational and NMR (H-1, C-13, Sn-119) spectroscopies. In the case of [(SnPh3)(2)(p-mpspa)] and [(SnPh3)(2)(cpa)], X-ray structural studies showed that in both compounds each Sri atom is coordinated to three phenyl C atoms and to one S or O atom of the bridge ligand L. All five complexes are active against strains of Staphylococcus aureus, but are inactive against Escherichia coli and Pseudomonas aeruginosa. From a solution of [(SnPh3)(2)(tspa)] in DMSO-d(6) the new complex [(SnPh3)(2)(tspa)(DMSO)] was isolated. The single-crystal X-ray diffractometric study of this complex is also reported, showing that both Sn atoms are bridged by the tspa ligand, whereas the molecule of DMSO is coordinated to one of the tin atoms via the oxygen atom. (c) 2005 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2005.09.012