1-[4-(benzyloxy)-3,5-dimethylphenyl]-3-(5-[(dimethylamino)methyl]-2-methoxypyridin-3-yl)propane-1,3-dione | 1187578-54-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-[4-(benzyloxy)-3,5-dimethylphenyl]-3-(5-[(dimethylamino)methyl]-2-methoxypyridin-3-yl)propane-1,3-dione
• CAS: 1187578-54-6
• 化学式: C₂₇H₃₀N₂O₄
• 分子量: 446.546
• InChiKey: GSPYWBNRECUGEK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  33.0
• 可旋转键数：
  10.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  68.73
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  1-[4-(benzyloxy)-3,5-dimethylphenyl]-3-(5-[(dimethylamino)methyl]-2-methoxypyridin-3-yl)propane-1,3-dione 在 吡啶盐酸盐 作用下， 以0.4 g的产率得到6-[(dimethylamino)methyl]-2-(4-hydroxy-3,5-dimethylphenyl)-4H-pyrano[2,3-b]pyridin-4-one hydrochloride
  参考文献：
  名称：

  Synthesis of 2-aryl-4H-pyrano[2,3-b]pyridin-4-ones by a one-pot deprotection–cyclization reaction

  摘要：

  An efficient synthesis of 2-aryl-4H-pyrano[2,3-b]pyridine-4-ones is reported, using a one-pot, two step process in the presence of pyridinium hydrochloride. The methodology is compatible with a series of functional groups useful for the synthesis of second generation analogs, as part of our SAR program. In addition, the method proved to be scalable (>100 g), allowing for efficient synthesis of material to support animal studies. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2009.06.062
• 作为产物：
  描述：

  methyl 5-[(dimethylamino)methyl]-2-methoxynicotinate 、 1-(4-(苄氧基)-3,5-二甲基苯基)乙酮 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 、 mineral oil 为溶剂， 以55%的产率得到1-[4-(benzyloxy)-3,5-dimethylphenyl]-3-(5-[(dimethylamino)methyl]-2-methoxypyridin-3-yl)propane-1,3-dione
  参考文献：
  名称：

  Synthesis of 2-aryl-4H-pyrano[2,3-b]pyridin-4-ones by a one-pot deprotection–cyclization reaction

  摘要：

  An efficient synthesis of 2-aryl-4H-pyrano[2,3-b]pyridine-4-ones is reported, using a one-pot, two step process in the presence of pyridinium hydrochloride. The methodology is compatible with a series of functional groups useful for the synthesis of second generation analogs, as part of our SAR program. In addition, the method proved to be scalable (>100 g), allowing for efficient synthesis of material to support animal studies. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2009.06.062