| 1402418-07-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• CAS: 1402418-07-8
• 化学式: C₄₄H₄₈O₆Sn
• 分子量: 791.572
• InChiKey: NDJLLZWSXGQHMF-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  10.84
• 重原子数：
  51.0
• 可旋转键数：
  14.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  86.74
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为产物：
  描述：

  联苯 在 aluminum (III) chloride 作用下， 以 二硫化碳 、 苯 为溶剂， 反应 6.0h， 生成
  参考文献：
  名称：

  Syntheses and characterizations of di- and tri-organotin carboxylates of 4-oxo-4-phenyl butanoic and 4-(4-biphenyl)-4-oxobutyric acid

  摘要：

  A family of organotin carboxylates, [(C6H5)(3)Sn(L-1)(2)] (1) and [(C6H11)(2)Sn(L-2)] (2), was synthesized from reaction of (RSnOH)-Sn-3 and R-2'SnO (where R = phenyl, R' = cyclohexyl) with 4-oxo-4-phenyl butanoic ((LH)-H-1) and 4-(4-biphenyl)-4-oxobutyric acid ((LH)-H-2) in suitable mole ratios. They have been characterized by elemental analysis, FT-IR, H-1 NMR spectroscopy, and single-crystal X-ray diffraction analysis. In 1, the geometry of tin is trigonal bipyramidal. Supramolecular architecture of 1 shows a polymeric chain structure with Ph3Sn centers linked by PhCOC2H4CO2 ligands via O -> Sn interactions. Sn center dot center dot center dot Sn non-bonded distances in the repeating 1-D polymeric structure equal 5.835 angstrom. Complex 2 contains an angular sector and adopts a distorted tetrahedral geometry.

  DOI：

  10.1080/00958972.2012.724680