3'-chlorosulfonyl-4'-methoxyflavone | 272777-08-9

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 黄酮类化合物
• 英文名称: 3'-chlorosulfonyl-4'-methoxyflavone
• 英文别名: 2-Methoxy-5-(4-oxochromen-2-yl)benzenesulfonyl chloride
• CAS: 272777-08-9
• 化学式: C₁₆H₁₁ClO₅S
• 分子量: 350.779
• InChiKey: PSVMNKGCTZTVKE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  23
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  78
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  二乙胺 、 3'-chlorosulfonyl-4'-methoxyflavone 以 乙腈 为溶剂， 反应 3.0h， 以60%的产率得到3'-N,N-diethylsulfamoyl-4'-methoxyflavone
  参考文献：
  名称：

  CHLOROSULFONATION OF FLAVONES

  摘要：

  The chlorosulfonation of flavone and 4'-methoxyflavone with chlorosulfonic acid occurs regioselectively in ring B. The chlorosulfonyl flavones were converted into their corresponding sulfonamides and sulfonates by reaction with alkylamines, anilines, isopropyl alcohol and p-chlorophenol. Two-dimensional (COSY and HETCOR) and one-dimensional selective INEPT experiments were carried out in order to unequivocally assign all the signals in the NMR spectra of compounds.

  DOI：

  10.1080/10426509808035737
• 作为产物：
  描述：

  4--甲氧基黄酮 在 氯磺酸 作用下， 反应 48.0h， 以78%的产率得到3'-chlorosulfonyl-4'-methoxyflavone
  参考文献：
  名称：

  CHLOROSULFONATION OF FLAVONES

  摘要：

  The chlorosulfonation of flavone and 4'-methoxyflavone with chlorosulfonic acid occurs regioselectively in ring B. The chlorosulfonyl flavones were converted into their corresponding sulfonamides and sulfonates by reaction with alkylamines, anilines, isopropyl alcohol and p-chlorophenol. Two-dimensional (COSY and HETCOR) and one-dimensional selective INEPT experiments were carried out in order to unequivocally assign all the signals in the NMR spectra of compounds.

  DOI：

  10.1080/10426509808035737