tributyltin(IV) 5-benzoyl-α-methyl-2-thiophene acetate | 460745-54-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: tributyltin(IV) 5-benzoyl-α-methyl-2-thiophene acetate
• 英文别名: tributylstannyl 2-(5-benzoylthiophen-2-yl)propanoate
• CAS: 460745-54-4
• 化学式: C₂₆H₃₈O₃SSn
• 分子量: 549.362
• InChiKey: WUPDQBSCUSKOGP-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  7.97
• 重原子数：
  31.0
• 可旋转键数：
  14.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  43.37
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  噻洛芬酸 在 NaHCO₃ 作用下， 以 乙醇 、 氯仿 、 水 为溶剂， 生成 tributyltin(IV) 5-benzoyl-α-methyl-2-thiophene acetate
  参考文献：
  名称：

  SYNTHESIS AND SPECTRAL STUDIES OF TRI- AND DIORGANOTIN(IV) COMPLEXES WITH 5-BENZOYL-α-METHYL-2-THIOPHENEACETIC ACID: CRYSTAL STRUCTURE OF [(CH₃)₃Sn(C₁₄H₁₁O₃S)]

  摘要：

  A series of tri- and diorganotin(IV) complexes of the general formula R4-nSnLn (where R = CH3, C4H9, C6H6, C7H7, n = 1, 2 and HL = 5-benzoyl-alpha-methyl-2-thiopheneacetic acid) have been sythesized by the reaction of tri- and diorganotin-(IV) chloride(s) with the silver salt of the ligand in CHCl3 solution. All of the compounds have been characterized by IR, conductance measurement, multinuclear (H-1, C-13, Sn-119) NMR, UV-Vis and mass spectrometery. An X-ray crystal structure of the representative compound (CH3)(3)SnL confirms a trigonal bipyramid around the tin atom, having the space group P2(1/a) with a monoclinic crystal system.

  DOI：

  10.1081/sim-120004439