4-Bromo-N-((4R,4aS,8aR)-8a-methoxy-4,7-dimethyl-3,4,8,8a-tetrahydro-2H,5H-chromen-4a-yl)-benzenesulfonamide | 135885-71-1

• 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-((4R,4aS,8aR)-8a-methoxy-4,7-dimethyl-3,4,8,8a-tetrahydro-2H,5H-chromen-4a-yl)-benzenesulfonamide
• CAS: 135885-71-1；135885-72-2
• 化学式: C₁₈H₂₄BrNO₄S
• 分子量: 430.363
• InChiKey: SHVLAXOUTAUPQU-JCGIZDLHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.61
• 重原子数：
  25.0
• 可旋转键数：
  4.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  64.63
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  p-bromobenzenesulfonyl azide 、 3-(2-methoxy-4-methylcyclohexa-1,4-dien-1-yl)butan-1-ol 反应 15.0h， 以63%的产率得到4-Bromo-N-[2,10-dimethyl-7-oxa-spiro[4.5]dec-2-en-(6Z)-ylidene]-benzenesulfonamide
  参考文献：
  名称：

  Ultrasonically accelerated cycloaddition - rearrangement of enol ethers

  摘要：

  Cycloaddition-rearrangement reactions of methyl cyclohexenyl ethers with p-bromobenzenesulfonyl azide in neat homogeneous admixture are substanially accelerated by low-wattage ultrasound. Using ultrasound approximately the same yields of rearranged products are obtained in less time at lower temperature than observed at ambient sonic frequencies and elevated temperature. A previously unreported product structural type has also been found.

  DOI：

  10.1016/s0040-4039(00)74352-8