2-t-Butylperoxybutylquecksilber(II)bromid | 31469-02-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-t-Butylperoxybutylquecksilber(II)bromid
• 英文别名: bromo(2-tert-butylperoxybutyl)mercury
• CAS: 31469-02-0
• 化学式: C₈H₁₇BrHgO₂
• 分子量: 425.716
• InChiKey: CGBTUWPFBHTYPY-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  3.32
• 重原子数：
  12.0
• 可旋转键数：
  5.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  18.46
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为产物：
  描述：

  氢溴酸 、 叔丁基过氧化氢 、 丁烯 、 mercury(II) diacetate 在 高氯酸 作用下， 以 not given 为溶剂， 生成 2-t-Butylperoxybutylquecksilber(II)bromid
  参考文献：
  名称：

  β-Peroxyalkyl radicals and their role in the generation of epoxides during the autoxidation of alkenes. An example of the interplay of free radical, peroxide and organometallic chemistries

  摘要：

  The systematics of the gamma-scission reactions of beta-peroxyalkyl radicals to yield epoxides have been extended to include variations in the degree of alkylation at the alpha- and beta-carbon atoms and in the nature of the departing alkoxyl radical. The ratios of geometrically isomeric epoxides so produced have been shown to be dependent upon the steric bulk of the C(alpha)- and C(beta)-substituents but rather independent of the nature of the departing alkoxyl radical. The relative importance of 1,5-H atom transfer in beta-peroxyalkyl radicals has been considered and some evidence for its occurrence adduced. The relevance of these findings to published data for alkene autoxidation is discussed in terms of two competing pathways, in which, it is suggested, steric factors determine the outcome.

  DOI：

  10.1016/0022-328x(92)83431-g