(CH3)3Sn(OOC(1-naphthyl)) | 167897-15-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: (CH3)3Sn(OOC(1-naphthyl))
• CAS: 167897-15-6
• 化学式: C₁₄H₁₆O₂Sn
• 分子量: 334.99
• InChiKey: ZFGWVHSVMHUGLZ-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  3.83
• 重原子数：
  17.0
• 可旋转键数：
  2.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  26.3
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为产物：
  描述：

  三甲基氯化锡 、 sodium naphthoate 以 四氢呋喃 为溶剂， 以95%的产率得到(CH3)3Sn(OOC(1-naphthyl))
  参考文献：
  名称：

  Trimethyltin(IV) naphthoates: X-ray structure of the 2-isomer

  摘要：

  The isomeric trimethyltin(IV) 1- and 2-naphthoates have been prepared in high yield from trimethyltin chloride and the appropriate sodium naphthoate in THF solution. Spectroscopic data for the compounds point to the presence of monomers, probably with a tetrahedral structure in CDCl3 solution, but five-coordinate trigonal bipyramidal units in the donor solvent DMSO. An X-ray structure of the 2-isomer shows an infinite zig-zag chain structure in which the carboxylate group bridges asymmetrically between pairs of tin atoms, which have distorted trigonal bipyramidal geometry. Much of the distortion can be traced to a weak residual chelating effect from the carboxylate group.

  DOI：

  10.1016/0277-5387(94)00447-m