1-((4-(4-chlorophenyl)-2-oxo-3,6-diphenyl-1,2,3,4-tetrahydropyridin-3-yl)amino)-3-methyl-1-oxobutan-2-yl ((benzyloxy)carbonyl)-L-phenylalaninate | 1001606-79-6

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 1-((4-(4-chlorophenyl)-2-oxo-3,6-diphenyl-1,2,3,4-tetrahydropyridin-3-yl)amino)-3-methyl-1-oxobutan-2-yl ((benzyloxy)carbonyl)-L-phenylalaninate
• CAS: 1001606-79-6
• 化学式: C₄₅H₄₂ClN₃O₆
• 分子量: 756.298
• InChiKey: BWNUXFUPDTZKQG-YFDQWODXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.71
• 重原子数：
  55.0
• 可旋转键数：
  13.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  122.83
• 氢给体数：
  3.0
• 氢受体数：
  6.0

反应信息

• 作为产物：
  描述：

  (3S,4S)-4-(4-chlorophenyl)-3-isocyano-3,6-diphenyl-1,4-dihydropyridin-2-one 、 N-苄氧羰基-L-苯丙氨酸 、 异丁醛 以 二氯甲烷 为溶剂， 反应 144.0h， 以80%的产率得到1-((4-(4-chlorophenyl)-2-oxo-3,6-diphenyl-1,2,3,4-tetrahydropyridin-3-yl)amino)-3-methyl-1-oxobutan-2-yl ((benzyloxy)carbonyl)-L-phenylalaninate
  参考文献：
  名称：

  A Flexible Six-Component Reaction To Access Constrained Depsipeptides Based on a Dihydropyridinone Core

  摘要：

  Highly functionalized and conformationally constrained depsipeptides based on a dihydropyridin-2-one core are prepared by the combination of a four- and a three-component reaction. The synthesis combines a one-pot Horner-Wadsworth-Emmons/cyclocondensation sequence leading to isonitrile-functionalized DHP-2-ones with an isonitrile-based Passerini multicomponent reaction (MCR). Substituents could be independently varied at six different positions. The two MCRs could also be performed as a one-pot procedure, simplifying the protocol and leading to a new and highly variable six-component process.

  DOI：

  10.1021/jo701978v