Methyl 1,7-dibenzyl-5-(1-morpholin-4-ylheptyl)-2,3-dihydropyrrolo[2,3-c]pyridine-4-carboxylate | 836678-80-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯并吡啶类
• 英文名称: Methyl 1,7-dibenzyl-5-(1-morpholin-4-ylheptyl)-2,3-dihydropyrrolo[2,3-c]pyridine-4-carboxylate
• 英文别名: methyl 1,7-dibenzyl-5-(1-morpholin-4-ylheptyl)-2,3-dihydropyrrolo[2,3-c]pyridine-4-carboxylate
• CAS: 836678-80-9
• 化学式: C₃₄H₄₃N₃O₃
• 分子量: 541.734
• InChiKey: WSPMQDFBOOTLRG-UHFFFAOYSA-N

物化性质

• 沸点：
  684.0±55.0 °C(Predicted)
• 密度：
  1.138±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.7
• 重原子数：
  40
• 可旋转键数：
  13
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  54.9
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  Methyl 1,7-dibenzyl-5-(1-morpholin-4-ylheptyl)-2,3-dihydropyrrolo[2,3-c]pyridine-4-carboxylate 在 palladium dihydroxide 、 氢气 作用下， 以 乙醇 为溶剂， 反应 72.0h， 以83%的产率得到
  参考文献：
  名称：

  Three-Component Synthesis of Polysubstituted 6-Azaindolines and Its Tricyclic Derivatives

  摘要：

  By simply heating a toluene solution of isocyanoacetamide (3), amine (4), and aldehyde (5), a clean three-component reaction occurred to provide the pyrrolidinone-fused azaindoline (2). In this multicomponent reaction, the isocyanoacetamide (3) reacted four times in a highly ordered manner creating three heterocylic rings with the concurrent formation of five chemical bonds and a minimal loss of molecular weight. Heating is the only external energy required to promote this powerful complexity-generating MCR.

  DOI：

  10.1021/ol0477881
• 作为产物：
  描述：

  N-甲酰基-DL-苯丙氨酸 在 氯化铵 、 1-(3-二甲基氨基丙基)-3-乙基碳二亚胺 、 三乙胺 、 三氯氧磷 作用下， 以 二氯甲烷 、 甲苯 为溶剂， 反应 9.0h， 生成 Methyl 1,7-dibenzyl-5-(1-morpholin-4-ylheptyl)-2,3-dihydropyrrolo[2,3-c]pyridine-4-carboxylate
  参考文献：
  名称：

  Three-Component Synthesis of Polysubstituted 6-Azaindolines and Its Tricyclic Derivatives

  摘要：

  By simply heating a toluene solution of isocyanoacetamide (3), amine (4), and aldehyde (5), a clean three-component reaction occurred to provide the pyrrolidinone-fused azaindoline (2). In this multicomponent reaction, the isocyanoacetamide (3) reacted four times in a highly ordered manner creating three heterocylic rings with the concurrent formation of five chemical bonds and a minimal loss of molecular weight. Heating is the only external energy required to promote this powerful complexity-generating MCR.

  DOI：

  10.1021/ol0477881