N-tert-butyl-1,3-dihydro-1-oxo-2-phenacylisoindol-3-carboxamide | 1208940-77-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: N-tert-butyl-1,3-dihydro-1-oxo-2-phenacylisoindol-3-carboxamide
• 英文别名: N-tert-butyl-3-oxo-2-phenacyl-1H-isoindole-1-carboxamide
• CAS: 1208940-77-5
• 化学式: C₂₁H₂₂N₂O₃
• 分子量: 350.417
• InChiKey: RZVOJBHIHIWXQI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  26
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  66.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  3-(N-tert-butylamino)-4-[N-(2,2-dimethoxy-2-phenyl)ethyl]amino-1H-isochromen-1-one 在 盐酸 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 120.0h， 以100%的产率得到N-tert-butyl-1,3-dihydro-1-oxo-2-phenacylisoindol-3-carboxamide
  参考文献：
  名称：

  Isolation of Ugi Four-Component Condensation Primary Adducts: A Straightforward Route to Isocoumarins

  摘要：

  Ugi four-component condensation (Ugi-4CC) between 2-formylbenzoic acid, phenacylamine dimethyl acetal, and isocyanides afforded 1H-isochromen-1-ones (isocoumarins). These products, where structure corresponds to the tautomeric enediamine form of the Ugi-4CC primary adducts, were stable enough to allow their isolation and characterization. Stable isocoumarins were also obtained by employing anilines as the amino component in the Ugi four-component condensation.

  DOI：

  10.1021/ol9028622

文献信息

• Isolation of Ugi Four-Component Condensation Primary Adducts: A Straightforward Route to Isocoumarins
  作者：Cristina Faggi、María García-Valverde、Stefano Marcaccini、Gloria Menchi

  DOI：10.1021/ol9028622

  日期：2010.2.19

  Ugi four-component condensation (Ugi-4CC) between 2-formylbenzoic acid, phenacylamine dimethyl acetal, and isocyanides afforded 1H-isochromen-1-ones (isocoumarins). These products, where structure corresponds to the tautomeric enediamine form of the Ugi-4CC primary adducts, were stable enough to allow their isolation and characterization. Stable isocoumarins were also obtained by employing anilines as the amino component in the Ugi four-component condensation.