tin(II) methanolate methyl carbonate | 960223-21-6

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机碳酸及其衍生物
• 英文名称: tin(II) methanolate methyl carbonate
• CAS: 960223-21-6
• 化学式: CH₃O*C₂H₃O₃*Sn
• 分子量: 224.788
• InChiKey: VHJOEKALMXRROX-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -2.43
• 重原子数：
  8.0
• 可旋转键数：
  0.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  72.42
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  二氧化碳 、 tin(II) bis(methoxide) 以 neat (no solvent) 为溶剂， 生成 tin(II) methanolate methyl carbonate
  参考文献：
  名称：

  A study on the carboxylation of glycerol to glycerol carbonate with carbon dioxide: The role of the catalyst, solvent and reaction conditions

  摘要：

  Glycerol was reacted with CO2 (5 MPa) at 450 K in presence of Sn-catalysts (n-Bu2Sn(OMe)(2) 1, n-Bu2SnO 2 or Sn(OMe)(2) 3), using either glycerol or tetraethylene glycol dimethyl ether (tedmg) as reaction medium. 1 was much more active than 2. 1 was demonstrated to convert into n-Bu2Sn(glycerol-2H) 4 upon reaction with glycerol and elimination of MeOH. Monomeric 4 is proposed to be the active species in catalysis. It converted into a polymeric material with time with consequent reduction of its catalytic activity. Also, after the first catalytic cycle 4 was converted into an oligomeric material that did not contain glycerol. This also caused the reduction of the catalytic activity. 3 was able to uptake CO2 but was not able to promote the carboxylation of glycerol.1 and 2 also promoted the trans-esterification of dimethylcarbonate (DMC) with glycerol to afford glycerol carbonate, but at a lower rate than the direct carboxylation of glycerol. This fact seems to rule out that the carboxylation of glycerol may proceed through the preliminary formation of DMC and its subsequent trans-esterification. (c) 2006 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molcata.2006.05.021