ethyl 6-benzyl-7-hexyl-2-morpholin-4-yl-5,7-dihydro-4H-furo[2,3-c]pyridine-3-carboxylate | 651021-97-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 呋喃
• 英文名称: ethyl 6-benzyl-7-hexyl-2-morpholin-4-yl-5,7-dihydro-4H-furo[2,3-c]pyridine-3-carboxylate
• CAS: 651021-97-5
• 化学式: C₂₇H₃₈N₂O₄
• 分子量: 454.61
• InChiKey: IBFXBUCKXQCETA-UHFFFAOYSA-N

物化性质

• 沸点：
  599.3±50.0 °C(Predicted)
• 密度：
  1.109±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.6
• 重原子数：
  33
• 可旋转键数：
  11
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  55.2
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  ethyl 6-benzyl-7-hexyl-2-morpholin-4-yl-5,7-dihydro-4H-furo[2,3-c]pyridine-3-carboxylate 在 palladium dihydroxide 氢气 作用下， 以 乙醇 为溶剂， 20.0 ℃ 、101.32 kPa 条件下， 反应 5.0h， 以58%的产率得到
  参考文献：
  名称：

  Synthesis of Polysubstituted 4,5,6,7-Tetrahydrofuro[2,3-c]pyridines by a Novel Multicomponent Reaction

  摘要：

  A novel three-component synthesis of tetrahydrofuro[2,3-c]pyridines (1) from readily accessible starting materials is described. Simply heating a toluene solution of an aminopentynoate (2a), an aldehyde (3), and an alpha-isocyanoacetamide (4) in the presence of ammonium chloride provided the 4,5,6,7-tetrahydrofuro[2,3-c]pyridines (1) in good to excellent yield. The fused ring system is produced in this one-pot process by the concomitant formation of five chemical bonds.

  DOI：

  10.1021/ol036167p
• 作为产物：
  描述：

  庚醛 、 Ethyl 5-(benzylamino)pent-2-ynoate 、 2-异氰基-1-吗啉-4-基-3-苯基丙烷-1-酮 在 氯化铵 作用下， 以 甲苯 为溶剂， 反应 16.0h， 以82%的产率得到ethyl 6-benzyl-7-hexyl-2-morpholin-4-yl-5,7-dihydro-4H-furo[2,3-c]pyridine-3-carboxylate
  参考文献：
  名称：

  Synthesis of Polysubstituted 4,5,6,7-Tetrahydrofuro[2,3-c]pyridines by a Novel Multicomponent Reaction

  摘要：

  A novel three-component synthesis of tetrahydrofuro[2,3-c]pyridines (1) from readily accessible starting materials is described. Simply heating a toluene solution of an aminopentynoate (2a), an aldehyde (3), and an alpha-isocyanoacetamide (4) in the presence of ammonium chloride provided the 4,5,6,7-tetrahydrofuro[2,3-c]pyridines (1) in good to excellent yield. The fused ring system is produced in this one-pot process by the concomitant formation of five chemical bonds.

  DOI：

  10.1021/ol036167p