[3-[4-(benzenesulfonyloxy)phenyl]-1-[(1S)-1-[4-(benzenesulfonyloxy)phenyl]but-3-enoxy]propyl] acetate | 886204-60-0

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: [3-[4-(benzenesulfonyloxy)phenyl]-1-[(1S)-1-[4-(benzenesulfonyloxy)phenyl]but-3-enoxy]propyl] acetate
• CAS: 886204-60-0
• 化学式: C₃₃H₃₂O₉S₂
• 分子量: 636.744
• InChiKey: ODFWOZUVYZPDTH-JEFWXSHNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.3
• 重原子数：
  44
• 可旋转键数：
  16
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  139
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  [3-[4-(benzenesulfonyloxy)phenyl]-1-[(1S)-1-[4-(benzenesulfonyloxy)phenyl]but-3-enoxy]propyl] acetate 在 三氟化硼乙醚 、 potassium carbonate 、 苯硫酚 作用下， 以 二氯甲烷 、 丙酮 为溶剂， 反应 12.75h， 生成 [4-[2-[(2S,4R,6S)-6-[4-(benzenesulfonyloxy)phenyl]-4-[4-methoxy-2,6-bis(phenylmethoxy)phenyl]oxan-2-yl]ethyl]phenyl] benzenesulfonate
  参考文献：
  名称：

  Synthesis and Structure Revision of Calyxin Natural Products

  摘要：

  Tandem Prins cyclization and Friedel-Crafts reaction with an electron-rich aromatic ring were used to prepare the core structures of calyxin natural products. The proposed structure of epicalyxin F was prepared and shown to be incorrect. Several calyxin natural products, including calyxin F and L, were synthesized, and the structures were reassigned on the basis of NMR data and synthetic correlations.

  DOI：

  10.1021/jo060094g
• 作为产物：
  描述：

  [4-[(1S)-1-hydroxybut-3-enyl]phenyl] benzenesulfonate 在 4-二甲氨基吡啶 、 二异丁基氢化铝 、 N,N'-二环己基碳二亚胺 作用下， 以 二氯甲烷 、 甲苯 为溶剂， 反应 24.25h， 生成 [3-[4-(benzenesulfonyloxy)phenyl]-1-[(1S)-1-[4-(benzenesulfonyloxy)phenyl]but-3-enoxy]propyl] acetate
  参考文献：
  名称：

  Synthesis and Structure Revision of Calyxin Natural Products

  摘要：

  Tandem Prins cyclization and Friedel-Crafts reaction with an electron-rich aromatic ring were used to prepare the core structures of calyxin natural products. The proposed structure of epicalyxin F was prepared and shown to be incorrect. Several calyxin natural products, including calyxin F and L, were synthesized, and the structures were reassigned on the basis of NMR data and synthetic correlations.

  DOI：

  10.1021/jo060094g