trans-2,2'-dimethyl-1,3-dioxo-6-(phenylamino)cycloheptan-5-ol | 1027597-29-0

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: trans-2,2'-dimethyl-1,3-dioxo-6-(phenylamino)cycloheptan-5-ol
• CAS: 1027597-29-0
• 化学式: C₁₃H₁₉NO₃
• 分子量: 237.299
• InChiKey: XKBWAHSSIIGFSH-VXGBXAGGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.61
• 重原子数：
  17.0
• 可旋转键数：
  2.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  50.72
• 氢给体数：
  2.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  4,4-dimethyl-3,5,8-trioxa-bicyclo-[5.1.0]octane 、 苯胺 在 polymeric scandium biphenyl-4,4'-disulfonic acid 作用下， 反应 12.0h， 以99%的产率得到trans-2,2'-dimethyl-1,3-dioxo-6-(phenylamino)cycloheptan-5-ol
  参考文献：
  名称：

  Heterogeneous Lewis Acid Catalysis with Self-Organized Polymeric Rare Earth Arylsulfonates under Solvent-Free Conditions

  摘要：

  Polymeric rare earth arylsulfonates, easily prepared from rare earth triisopropoxides and biphenyl-4,4'-disulfonic acid (BPDSA) or 1,3,5-triphenylbenzene trisulfonic acid (TPTSA) in a self-organization manner, were found to work as an efficient heterogeneous Lewis acid catalyst for the hetero-Diels-Alder reaction of aldehydes with the Danishefsky's diene and the ring-opening reaction of epoxides with amines tinder solvent-free conditions. The catalysts could be quantitatively recovered and reused many times without decreasing their activities.

  DOI：

  10.3987/com-08-s(f)78