3-phenyl-1-(2,4,6-trimethylphenylsulfonyl)-4-[1-(2,4,6-trimethylphenylsulfonyl)-4,5-dihydro-1H-pyrrol-2-yl]imidazolidin-2-one | 1225465-81-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑烷类
• 英文名称: 3-phenyl-1-(2,4,6-trimethylphenylsulfonyl)-4-[1-(2,4,6-trimethylphenylsulfonyl)-4,5-dihydro-1H-pyrrol-2-yl]imidazolidin-2-one
• 英文别名: 3-Phenyl-1-(2,4,6-trimethylphenyl)sulfonyl-4-[1-(2,4,6-trimethylphenyl)sulfonyl-2,3-dihydropyrrol-5-yl]imidazolidin-2-one
• CAS: 1225465-81-5
• 化学式: C₃₁H₃₅N₃O₅S₂
• 分子量: 593.768
• InChiKey: VBGSLMGFKQHFLK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  41
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  112
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  N-{4-[1-(2,4,6-trimethylphenylsulfonyl)aziridin-2-yl]but-3-ynyl}-2,4,6-trimethylphenylsulfonamide 、 异氰酸苯酯 在 四(三苯基膦)钯 作用下， 以 四氢呋喃 为溶剂， 反应 0.02h， 以89%的产率得到3-phenyl-1-(2,4,6-trimethylphenylsulfonyl)-4-[1-(2,4,6-trimethylphenylsulfonyl)-4,5-dihydro-1H-pyrrol-2-yl]imidazolidin-2-one
  参考文献：
  名称：

  Construction of Linked Nitrogen Heterocycles by Palladium(0)-Catalyzed Intramolecular Domino Cyclization of 2-Alkynylaziridines Bearing a 2-Aminoethyl Group via Ring Expansion with Isocyanate

  摘要：

  A novel palladium(0)-catalyzed domino cyclization of 2-alkynylaziridines with isocyanates through ring expansion is described. Treatment of N-protected 2-(4-aminobut-1-ynyl)aziridine derivatives With a catalytic amount of Pd(PPh(3))(4) and aryl isocyanates in THF at room temperature affords 4-(4,5-dihydropyrrol-2-yl)imidazolidin-2-one derivatives in good yields. Interestingly, bis-adducts were selectively obtained by use of excess isocyanate (5 equiv) at lower reaction temperature.

  DOI：

  10.1021/jo100462w