butylneopentyltin dibromide | 152646-74-7

• 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: butylneopentyltin dibromide
• CAS: 152646-74-7
• 化学式: C₉H₂₀Br₂Sn
• 分子量: 406.776
• InChiKey: FSYJGKFEBPDLDR-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  5.06
• 重原子数：
  12.0
• 可旋转键数：
  4.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  0.0

反应信息

• 作为产物：
  描述：

  Dibutyl-dineopentyl-zinn, Dibutyl-dineopentyl-stannan 在 Br₂ 作用下， 以 四氯化碳 为溶剂， 生成 butylneopentyltin dibromide 、 二溴双(2,2-二甲基丙基)锡烷
  参考文献：
  名称：

  方便制备受阻二烷基锡（IV）衍生物

  摘要：

  Diphenyltin dichloride was reacted with excess Grignard reagent to give dialkyldiphenyltin derivatives, R2Ph2Sn (R2 = 2 neopentyl, 2 trimethylsilyl, 2 neohexyl, 2 cyclohexyl, hexamethylene), in excellent yield when R is hindered but in lower yield when a ring is formed. Heating these compounds with chloroacetic acid cleaved the two phenyl groups in excellent yield to give crystalline bis(chloroacetates). The dialkyltin(IV) bis(chloroacetates) were converted to oxides by reaction with sodium hydroxide. The crystal structure of hexamethylenetin bis(chloroacetate) (R = R(w) = 0.0241) demonstrated that it was a monomer with a C-Sn-C angle of 122.2(3)-degrees having hexacoordinate tin bonded to anisobidentate chloroacetate groups. C-Sn-C bond angles for all compounds in solution were obtained from 1J(119Sn,13C) values. Literature Karplus-type equations for 3J(119Sn,13C) values in trimethyltin derivatives apply approximately to dialkyldiphenyltin derivatives but not to dialkyltin(IV) bis(chloroacetates).

  DOI：

  10.1021/om00036a030