Diethyl 4-[4-[[4-[3,5-bis(ethoxycarbonyl)-2,6-dimethyl-1,4-dihydropyridin-4-yl]-2-methoxyphenoxy]methoxy]-3-methoxyphenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate | 1224597-72-1

• 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: Diethyl 4-[4-[[4-[3,5-bis(ethoxycarbonyl)-2,6-dimethyl-1,4-dihydropyridin-4-yl]-2-methoxyphenoxy]methoxy]-3-methoxyphenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
• CAS: 1224597-72-1
• 化学式: C₄₁H₅₀N₂O₁₂
• 分子量: 762.854
• InChiKey: YMMXNWICFKCXCU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.3
• 重原子数：
  55
• 可旋转键数：
  20
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  166
• 氢给体数：
  2
• 氢受体数：
  14

反应信息

• 作为产物：
  描述：

  3,3'-dimethoxy-4,4'-methanediyldioxy-di-benzaldehyde 、 乙酰乙酸乙酯 在 碳酸氢铵 作用下， 反应 72.0h， 以58%的产率得到Diethyl 4-[4-[[4-[3,5-bis(ethoxycarbonyl)-2,6-dimethyl-1,4-dihydropyridin-4-yl]-2-methoxyphenoxy]methoxy]-3-methoxyphenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
  参考文献：
  名称：

  Efficient Synthesis of Alkylene Bridging Bisdihydropyridines

  摘要：

  Under microwave irradiation, vanillin was alkylated with ,-dihaloalkane to give 4,4'-alkylene-bridging vanillins, which in turn underwent one-pot multicomponent reactions with excess of ethyl acetoacetate and ammonium bicarbonate to give 4,4'-alkoxy-bridging bisdihydropyridines in moderate yields. The structures of the synthetic bisdihydropyridines were characterized with 1H NMR, 13C NMR, and high-performance liquic chromatography/mass spectroscopy.

  DOI：

  10.1080/00397910903079599

文献信息

• Efficient Synthesis of Alkylene Bridging Bisdihydropyridines
  作者：Dong-Mei Liu、Li-Ting Du、Jing Sun、Chao-Guo Yan

  DOI：10.1080/00397910903079599

  日期：2010.4.12

  Under microwave irradiation, vanillin was alkylated with ,-dihaloalkane to give 4,4'-alkylene-bridging vanillins, which in turn underwent one-pot multicomponent reactions with excess of ethyl acetoacetate and ammonium bicarbonate to give 4,4'-alkoxy-bridging bisdihydropyridines in moderate yields. The structures of the synthetic bisdihydropyridines were characterized with 1H NMR, 13C NMR, and high-performance liquic chromatography/mass spectroscopy.