2,2'-bis(2,2-dimethylpropyl)-2,2'-bi-1,3-dithianyl

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫代缩醛
• 英文名称: 2,2'-bis(2,2-dimethylpropyl)-2,2'-bi-1,3-dithianyl
• 英文别名: 2-(2,2-Dimethylpropyl)-2-[2-(2,2-dimethylpropyl)-1,3-dithian-2-yl]-1,3-dithiane
• 化学式: C₁₈H₃₄S₄
• 分子量: 378.732
• InChiKey: LRJBHNHCEOXYBH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.2
• 重原子数：
  22
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  101
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2-methylene 1,3-dithiane 、 溴代叔丁烷 在 溴丁基-镁 、 zirconocene dichloride 作用下， 以 四氢呋喃 为溶剂， 反应 1.0h， 以71%的产率得到2,2'-bis(2,2-dimethylpropyl)-2,2'-bi-1,3-dithianyl
  参考文献：
  名称：

  Zirconocene-catalyzed alkylative dimerization of 2-methylene-1,3-dithiane via a single electron transfer process to provide symmetrical vic-bis(dithiane)s

  摘要：

  A mixture of tertiary alkyl halide and 2-methylene-1,3-dithiane was treated with butylmagnesium bromide in the presence of a catalytic amount of zirconocene dichloride. The reaction resulted in alkylative dimerization to yield the corresponding vic-bis(dithiane). The reaction would proceed as follows. A single electron transfer from low-valent zirconocene to alkyl halide would generate the corresponding alkyl radical. The radical adds to 2-methylene-1,3-dithiane to afford the corresponding radical stabilized by the two sulfur atoms. A couple of the stable radicals finally undergo dimerization. (c) 2007 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2006.12.029

文献信息

• Zirconocene-catalyzed alkylative dimerization of 2-methylene-1,3-dithiane via a single electron transfer process to provide symmetrical vic-bis(dithiane)s
  作者：Suguru Yoshida、Hideki Yorimitsu、Koichiro Oshima

  DOI：10.1016/j.jorganchem.2006.12.029

  日期：2007.7

  A mixture of tertiary alkyl halide and 2-methylene-1,3-dithiane was treated with butylmagnesium bromide in the presence of a catalytic amount of zirconocene dichloride. The reaction resulted in alkylative dimerization to yield the corresponding vic-bis(dithiane). The reaction would proceed as follows. A single electron transfer from low-valent zirconocene to alkyl halide would generate the corresponding alkyl radical. The radical adds to 2-methylene-1,3-dithiane to afford the corresponding radical stabilized by the two sulfur atoms. A couple of the stable radicals finally undergo dimerization. (c) 2007 Elsevier B.V. All rights reserved.