Bis(trimethylzinn)carbonat | 16469-60-6

• 分子结构分类: 有机化合物 - 有机金属化合物 - 有机过渡后金属化合物
• 英文名称: Bis(trimethylzinn)carbonat
• 英文别名: Bis(tri-methyltin) carbonate；bis(trimethylstannyl) carbonate
• CAS: 16469-60-6
• 化学式: C₇H₁₈O₃Sn₂
• 分子量: 387.638
• InChiKey: HNWSJLNMCFYRBW-UHFFFAOYSA-L

物化性质

• 沸点：
  231.4±23.0 °C(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.81
• 重原子数：
  12
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  三甲基氢氧化锡 在 CO₂ 作用下， 以 甲苯 为溶剂， 以70%的产率得到Bis(trimethylzinn)carbonat
  参考文献：
  名称：

  The structure of (iBu3Sn)2CO3 and (Me3Sn)2CO3 in solution and in the solid state studied by 13C/119 Sn NMR spectros

  摘要：

  The structures of two bis(triorganotin) carbonates (R3Sn)2CO3, with R = Me (1a) or (i)Bu (1b), have been determined by low temperature single crystal X-ray diffraction studies. The crystal structure of 1a (previously determined at room temperature) has been redetermined at 200 K, at which the structure of 1b has also been determined. Both compounds have similar polymeric structures; trigonal-planar R3Sn moieties are axially bridged by bidentate R3Sn-O-CO2 units to trigonal-pyramidal R3Sn moieties in such a way that helices parallel to the crystallographic c-axes are formed. There are differences in the number of the structural units (R3Sntpy)(R3Sntpl)CO3 needed for a complete screw thread, namely, two for 1a and four for 1b. C-13 and Sn-119 high resolution solid-state NMR spectroscopy are consistent with the structural findings but also the existence of dynamic processes (on the NMR time scale) for solid la at room temperature. Structural differences between the solid state and solution can be rationalised by comparison of solid and solution state NMR spectroscopy.

  DOI：

  10.1016/0022-328x(92)80069-a