4-Bromo-N-(3,3-dimethyl-5-oxo-[1,2]dithiolan-4-yl)-benzenesulfonamide | 156641-12-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-Bromo-N-(3,3-dimethyl-5-oxo-[1,2]dithiolan-4-yl)-benzenesulfonamide
• 英文别名: 4-bromo-N-(3,3-dimethyl-5-oxodithiolan-4-yl)benzenesulfonamide
• CAS: 156641-12-2
• 化学式: C₁₁H₁₂BrNO₃S₃
• 分子量: 382.323
• InChiKey: XVPYHYKBXZLHFX-UHFFFAOYSA-N

物化性质

• 沸点：
  504.7±60.0 °C(predicted)
• 密度：
  1.73±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  19
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  122
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  4-Bromo-N-(3,3-dimethyl-5-oxo-[1,2]dithiolan-4-yl)-benzenesulfonamide 在 二甲基二环氧乙烷 作用下， 生成 4-Bromo-N-((1R,4S)-5,5-dimethyl-1,3-dioxo-1λ⁴-[1,2]dithiolan-4-yl)-benzenesulfonamide 、 4-Bromo-N-((1S,4S)-5,5-dimethyl-1,3-dioxo-1λ⁴-[1,2]dithiolan-4-yl)-benzenesulfonamide
  参考文献：
  名称：

  Diastereoselective oxidation of substituted 1,2-dithiolan-3-ones

  摘要：

  Oxidation of 1,2-dithiolan-3-ones 1 with one equivalent of dimethyldioxirane in dichloromethane at -78 degrees C produces the corresponding 1,2-dithiolan-3-one 1-oxides 2 in high yield and with diastereoselectivities as high as 18:1. The major diastereomer formed is the trans isomer. An X-ray crystallographic structure study of the major diastereomer 2c obtained by oxidation of 1g is reported.

  DOI：

  10.1016/s0040-4039(00)76693-7
• 作为产物：
  描述：

  (3,3-Dimethyl-5-oxo-[1,2]dithiolan-4-yl)-carbamic acid benzyl ester 在 吡啶 、 氢溴酸 作用下， 以 溶剂黄146 为溶剂， 生成 4-Bromo-N-(3,3-dimethyl-5-oxo-[1,2]dithiolan-4-yl)-benzenesulfonamide
  参考文献：
  名称：

  Diastereoselective oxidation of substituted 1,2-dithiolan-3-ones

  摘要：

  Oxidation of 1,2-dithiolan-3-ones 1 with one equivalent of dimethyldioxirane in dichloromethane at -78 degrees C produces the corresponding 1,2-dithiolan-3-one 1-oxides 2 in high yield and with diastereoselectivities as high as 18:1. The major diastereomer formed is the trans isomer. An X-ray crystallographic structure study of the major diastereomer 2c obtained by oxidation of 1g is reported.

  DOI：

  10.1016/s0040-4039(00)76693-7