2-(2-bromo-6-chloro-phenyl)-9-chloro-3,4-dihydro-2H-benzo[h][1,6]naphthyridine-1,5-dicarboxylic acid 1-benzyl ester 5-ethyl ester | 1296216-91-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 2-(2-bromo-6-chloro-phenyl)-9-chloro-3,4-dihydro-2H-benzo[h][1,6]naphthyridine-1,5-dicarboxylic acid 1-benzyl ester 5-ethyl ester
• 英文别名: 1-O-benzyl 5-O-ethyl 2-(2-bromo-6-chlorophenyl)-9-chloro-3,4-dihydro-2H-benzo[h][1,6]naphthyridine-1,5-dicarboxylate
• CAS: 1296216-91-5
• 化学式: C₂₉H₂₃BrCl₂N₂O₄
• 分子量: 614.323
• InChiKey: MVQMBVSJLWMPES-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.9
• 重原子数：
  38
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  68.7
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  2-氯-6-溴苯甲醛 在 RuCl2(1,3-dimesityl-imidazolidin-2-yl)(PCy3)(=CHPh) 、 三乙胺 、 2,3-二氯-5,6-二氰基-1,4-苯醌 、 scandium tris(trifluoromethanesulfonate) 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 54.33h， 生成 2-(2-bromo-6-chloro-phenyl)-9-chloro-3,4-dihydro-2H-benzo[h][1,6]naphthyridine-1,5-dicarboxylic acid 1-benzyl ester 5-ethyl ester
  参考文献：
  名称：

  Facile and Unified Approach to Skeletally Diverse, Privileged Scaffolds

  摘要：

  A novel strategy has been developed to generate a diverse array of privileged scaffolds from readily available tetrahydropyridine precursors that may be prepared by a multicomponent assembly process followed by a ring-closing metathesis. The functionality embedded in these key Intermediates enables their facile elaboration into more complex structures of biological relevance by a variety of ring-forming processes and refunctionalizations.

  DOI：

  10.1021/ol200709h

文献信息

• Facile and Unified Approach to Skeletally Diverse, Privileged Scaffolds
  作者：James J. Sahn、Justin Y. Su、Stephen F. Martin

  DOI：10.1021/ol200709h

  日期：2011.5.20

  A novel strategy has been developed to generate a diverse array of privileged scaffolds from readily available tetrahydropyridine precursors that may be prepared by a multicomponent assembly process followed by a ring-closing metathesis. The functionality embedded in these key Intermediates enables their facile elaboration into more complex structures of biological relevance by a variety of ring-forming processes and refunctionalizations.