8-benzoyl-7-benzyl-6-(4-methoxybenzyl)-5,6-dihydro-1,6-naphthyridin-5-one | 499241-10-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 8-benzoyl-7-benzyl-6-(4-methoxybenzyl)-5,6-dihydro-1,6-naphthyridin-5-one
• 英文别名: 8-benzoyl-7-benzyl-6-[(4-methoxyphenyl)methyl]-1,6-naphthyridin-5-one
• CAS: 499241-10-0
• 化学式: C₃₀H₂₄N₂O₃
• 分子量: 460.532
• InChiKey: LPKKXTLJVSCBAR-UHFFFAOYSA-N

物化性质

• 沸点：
  680.0±55.0 °C(Predicted)
• 密度：
  1.265±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.28
• 重原子数：
  35.0
• 可旋转键数：
  7.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  61.19
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  8-benzoyl-7-benzyl-6-(4-methoxybenzyl)-5,6-dihydro-1,6-naphthyridin-5-one 在 甲烷磺酸 作用下， 反应 4.0h， 以78%的产率得到8-benzoyl-7-benzyl-5,6-dihydro-1,6-naphthyridin-5-one
  参考文献：
  名称：

  Practical synthesis of 8-acyl-7-alkyl-1,6-naphthyridin-5(6H)-ones

  摘要：

  Reaction of a set of enaminones with 2-chloronicotinoyl chloride or 2,6-dichloro-5-fluoronicotinoyl chloride mainly leads to N-acylation products which cyclize directly or reacting with sodium hydride to give 8-acyl-7-alkyl-1, 6-naphthyridin-5(6H)-ones. Due to their easy availability these compounds are attractive precursors for synthesis of polycondensed heterocycles like naphtho[2,3-h] [1,6] naphthyridin-5-ones and pyrido [3,2-c] [1,6]naphthyridin-6-ones. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(02)01028-1
• 作为产物：
  描述：

  1,4-diphenylbutane-1,3-dione 、 alkaline earth salt of/the/ methylsulfuric acid 在 三乙胺 作用下， 以 甲苯 为溶剂， 反应 6.0h， 生成 8-benzoyl-7-benzyl-6-(4-methoxybenzyl)-5,6-dihydro-1,6-naphthyridin-5-one
  参考文献：
  名称：

  Practical synthesis of 8-acyl-7-alkyl-1,6-naphthyridin-5(6H)-ones

  摘要：

  Reaction of a set of enaminones with 2-chloronicotinoyl chloride or 2,6-dichloro-5-fluoronicotinoyl chloride mainly leads to N-acylation products which cyclize directly or reacting with sodium hydride to give 8-acyl-7-alkyl-1, 6-naphthyridin-5(6H)-ones. Due to their easy availability these compounds are attractive precursors for synthesis of polycondensed heterocycles like naphtho[2,3-h] [1,6] naphthyridin-5-ones and pyrido [3,2-c] [1,6]naphthyridin-6-ones. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(02)01028-1