methyl 2-(N-(2,4-dimethoxybenzyl)-4-oxo-4-phenylbutanamido)acetate

• 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: methyl 2-(N-(2,4-dimethoxybenzyl)-4-oxo-4-phenylbutanamido)acetate
• 英文别名: Methyl 2-[(2,4-dimethoxyphenyl)methyl-(4-oxo-4-phenylbutanoyl)amino]acetate；methyl 2-[(2,4-dimethoxyphenyl)methyl-(4-oxo-4-phenylbutanoyl)amino]acetate
• 化学式: C₂₂H₂₅NO₆
• 分子量: 399.444
• InChiKey: WMUDFUZIBCVGCO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  29
• 可旋转键数：
  11
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  82.1
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  methyl 2-(N-(2,4-dimethoxybenzyl)-4-oxo-4-phenylbutanamido)acetate 在 lithium hexamethyldisilazane 、 柠檬酸 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 0.5h， 以74%的产率得到4-benzoyl-1-(2,4-dimethoxybenzyl)-5-hydroxy-1,6-dihydropyridin-2(3H)-one
  参考文献：
  名称：

  Synthesis of the Novel Tetrahydropyrazolo[3,4-c]pyridin-5-one Scaffold

  摘要：

  We report an efficient synthesis of the novel 1,4,6,7-tetrahydropyrazolo[3,4-c]pyridin-5-one scaffold with the potential for incorporation of alkyl or aryl substituents at the C-3 and N-6 positions. The route utilises a Dieckmann condensation to install the lactam ring, followed by a hydrazine cyclisation to build the fused pyrazole ring.

  DOI：

  10.1055/s-0034-1379504
• 作为产物：
  描述：

  4-氧代-4-苯基丁酸乙酯 在 1-丙基磷酸酐 、 三乙胺 、 sodium hydroxide 作用下， 以 2-甲基四氢呋喃 、 甲醇 、 乙酸乙酯 为溶剂， 反应 5.0h， 生成 methyl 2-(N-(2,4-dimethoxybenzyl)-4-oxo-4-phenylbutanamido)acetate
  参考文献：
  名称：

  Synthesis of the Novel Tetrahydropyrazolo[3,4-c]pyridin-5-one Scaffold

  摘要：

  We report an efficient synthesis of the novel 1,4,6,7-tetrahydropyrazolo[3,4-c]pyridin-5-one scaffold with the potential for incorporation of alkyl or aryl substituents at the C-3 and N-6 positions. The route utilises a Dieckmann condensation to install the lactam ring, followed by a hydrazine cyclisation to build the fused pyrazole ring.

  DOI：

  10.1055/s-0034-1379504

文献信息

• Synthesis of the Novel Tetrahydropyrazolo[3,4-c]pyridin-5-one Scaffold
  作者：Nicholas Howe、Kevin Blades、Gillian Lamont

  DOI：10.1055/s-0034-1379504

  日期：——

  We report an efficient synthesis of the novel 1,4,6,7-tetrahydropyrazolo[3,4-c]pyridin-5-one scaffold with the potential for incorporation of alkyl or aryl substituents at the C-3 and N-6 positions. The route utilises a Dieckmann condensation to install the lactam ring, followed by a hydrazine cyclisation to build the fused pyrazole ring.