2,2-diethyl-3,1,2-benzoxathiastannin-4-one | 144979-10-2

• 分子结构分类: 有机化合物 - 苯类化合物
• 英文名称: 2,2-diethyl-3,1,2-benzoxathiastannin-4-one
• CAS: 144979-10-2
• 化学式: C₁₁H₁₄O₂SSn
• 分子量: 329.007
• InChiKey: PCAXYVZDDVYQBL-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  3.43
• 重原子数：
  15.0
• 可旋转键数：
  2.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  26.3
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  2,2-diethyl-3,1,2-benzoxathiastannin-4-one 、 四乙基氟化铵水合物 以69%的产率得到tetraethylammonium diethylfluorothiosalicylatostannate
  参考文献：
  名称：

  Tetraethylammonium (diorgano)halogeno(thiosalicylato)stannates: synthesis, characterization and in vitro antitumor activity

  摘要：

  Some tetraethylammonium adducts of diorganotin thiosalicylates were prepared and characterized by Mossbauer, H-1, C-13, F-19 and Sn-119 NMR spectroscopy. Their solution chemistry in DMSO at equilibrium is discussed on the basis of Sn-119 NMR data. These data are explained in terms of the complex being six-coordinate with one DMSO ligand and existing as a mixture of at least five isomers. These adducts appear to be only slightly more active in vitro than the parent diorganotin thiosalicylates against MCF-7, a mammary tumor, and especially against WiDr, a colon carcinoma. The ionic character of the species, resulting in higher solubility, did not provide higher antitumor activities.

  DOI：

  10.1016/s0020-1693(00)85515-2