(E)-5-(4-chlorophenyl)-N-(2,6-dimethylphenyl)-2-(1,3-dithiolan-2-ylidene)-3-oxopent-4-enamide | 1204406-87-0

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 英文名称: (E)-5-(4-chlorophenyl)-N-(2,6-dimethylphenyl)-2-(1,3-dithiolan-2-ylidene)-3-oxopent-4-enamide
• CAS: 1204406-87-0
• 化学式: C₂₂H₂₀ClNO₂S₂
• 分子量: 429.991
• InChiKey: GAGBHPABDGEDOG-DHZHZOJOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.2
• 重原子数：
  28
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  96.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (E)-5-(4-chlorophenyl)-N-(2,6-dimethylphenyl)-2-(1,3-dithiolan-2-ylidene)-3-oxopent-4-enamide 在 sodium hydroxide 作用下， 以 乙醇 为溶剂， 以63%的产率得到6-(4-Chlorophenyl)-1-(2,6-dimethylphenyl)-3-(1,3-dithiolan-2-ylidene)piperidine-2,4-dione
  参考文献：
  名称：

  Polarity-Reversible Conjugate Addition Tuned by Remote Electronic Effects

  摘要：

  A new concept, polarity-reversible conjugate addition, has been described, based on the findings that the polarity of a classical Michael acceptor can be reversed through remote electronic effects. In addition, the remote electronic effects are tunable, and both five- and six-membered nitrogen rings can be constructed starting from acyclic precursors having the same enone structure unit simply by varying a remote substituent in the molecules.

  DOI：

  10.1021/ol902551m