1-cyano-6,6-dimethyl-3,8-methano-7-thiatricyclo<3.2.1>octane 7,7-dioxide | 111740-30-8

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 1-cyano-6,6-dimethyl-3,8-methano-7-thiatricyclo<3.2.1>octane 7,7-dioxide
• 英文别名: 1-cyano-6,6-dimethyl-3,8-methano-7-thiabicyclo<3.2.1>octane 7,7-dioxide；(1R,3R,6S,7R)-5,5-dimethyl-4,4-dioxo-4lambda6-thiatricyclo[4.2.1.03,7]nonane-3-carbonitrile；(1R,3R,6S,7R)-5,5-dimethyl-4,4-dioxo-4λ6-thiatricyclo[4.2.1.03,7]nonane-3-carbonitrile
• CAS: 111740-30-8
• 化学式: C₁₁H₁₅NO₂S
• 分子量: 225.312
• InChiKey: SZYMUXSFQGKKPB-LOKLDPHHSA-N

物化性质

• 沸点：
  428.5±28.0 °C(Predicted)
• 密度：
  1.32±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  15
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.91
• 拓扑面积：
  66.3
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  1-cyano-6,6-dimethyl-4-exo-hydroxy-3,8-methano-7-thiabicyclo<3.2.1>octane 7,7-dioxide 在 咪唑 、 三正丁基氢锡 、 sodium hydride 作用下， 以 甲苯 为溶剂， 反应 5.0h， 生成 1-cyano-6,6-dimethyl-3,8-methano-7-thiatricyclo<3.2.1>octane 7,7-dioxide
  参考文献：
  名称：

  Mattalia; Vacher; Samat, Journal of the American Chemical Society, 1992, vol. 114, # 11, p. 4111 - 4119

  摘要：

  DOI：

文献信息

• Occurrence of single-electron transfer during the reduction of .alpha.-halo sulfones with zinc
  作者：Andre Samat、Bernard Vacher、Michel Chanon

  DOI：10.1021/jo00011a016

  日期：1991.5

  In order to study the frontier between inner sphere (polar) and outer sphere (monoelectronic transfer) mechanisms, the reduction of alpha-halo sulfones with zinc has been investigated using as starting materials 5-endo-[(1'-halo-1'-methylethyl)sulfonyl]-5-exo-cyano-2-norbornenes 1, efficient radical clock precursors. For the bromo as well as for the chloro sulfone, the tricyclic compound characteristic of the rearrangement of a radical intermediate has been detected: the yields are lower in methanol (1-2%) than in hexamethylphosphoramide (3-11%). These reductions could therefore proceed at least partly, via two monoelectronic transfers leading to the intermediate alpha-sulfonyl carbanion.
• A highly efficient radical clock as a probe of the mechanism of sulfone halogenation by perhaloalkanes
  作者：Bernard Vacher、André Samat、Michel Chanon

  DOI：10.1016/s0040-4039(00)98880-4

  日期：1985.1
• Mattalia; Vacher; Samat, Journal of the American Chemical Society, 1992, vol. 114, # 11, p. 4111 - 4119
  作者：Mattalia、Vacher、Samat、Chanon

  DOI：——

  日期：——