7-bromo-2-(2-bromo-6-chloro-phenyl)-3,4,4a,5,6,10b-hexahydro-2Hbenzo[h][1,6]naphthyridine-1,5-dicarboxylic acid 1-benzyl ester 5-ethyl ester | 1296216-87-9

• 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: 7-bromo-2-(2-bromo-6-chloro-phenyl)-3,4,4a,5,6,10b-hexahydro-2Hbenzo[h][1,6]naphthyridine-1,5-dicarboxylic acid 1-benzyl ester 5-ethyl ester
• CAS: 1296216-87-9
• 化学式: C₂₉H₂₇Br₂ClN₂O₄
• 分子量: 662.805
• InChiKey: VAMRSOZMERFKAI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.05
• 重原子数：
  38.0
• 可旋转键数：
  5.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  67.87
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  7-bromo-2-(2-bromo-6-chloro-phenyl)-3,4,4a,5,6,10b-hexahydro-2Hbenzo[h][1,6]naphthyridine-1,5-dicarboxylic acid 1-benzyl ester 5-ethyl ester 在 2,3-二氯-5,6-二氰基-1,4-苯醌 作用下， 以 二氯甲烷 为溶剂， 反应 24.0h， 以65%的产率得到1-benzyl 5-ethyl 7-bromo-2-(2-bromo-6-chlorophenyl)-3,4-dihydrobenzo[h][1,6]naphthyridine-1,5(2H)-dicarboxylate
  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
• 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 、 scandium tris(trifluoromethanesulfonate) 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 30.33h， 生成 7-bromo-2-(2-bromo-6-chloro-phenyl)-3,4,4a,5,6,10b-hexahydro-2Hbenzo[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