5-acetyl-3,4-dihydro-4-(2,3,4-trimethoxyphenyl)-6-methylpyrimidin-2(1H)-one

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 5-acetyl-3,4-dihydro-4-(2,3,4-trimethoxyphenyl)-6-methylpyrimidin-2(1H)-one
• 英文别名: 5-acetyl-6-methyl-4-(2,3,4-trimethoxyphenyl)-3,4-dihydro-1H-pyrimidin-2-one
• 化学式: C₁₆H₂₀N₂O₅
• 分子量: 320.345
• InChiKey: WKYJPQFGMQURIL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  23
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  85.9
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  尿素 、 乙酰丙酮 、 2,3,4-三甲氧基苯甲醛 在 1-sulfonic acid-3,5,7-trimethylpurinium-5,7-dione hydrogen sulfate 作用下， 以 neat (no solvent) 为溶剂， 反应 0.25h， 以60%的产率得到5-acetyl-3,4-dihydro-4-(2,3,4-trimethoxyphenyl)-6-methylpyrimidin-2(1H)-one
  参考文献：
  名称：

  A Highly Efficient and Green Catalytic Synthesis of 3,4-dihydro-pyrimidin-2-(1H)-ones (Thiones) Using 3-sulfonic Acid-1-imidazolopyridinium Hydrogen Sulfate under Solvent-free Conditions

  摘要：

  The ionic liquid catalyst 3-sulfonic acid-1-imidazolopyridinium hydrogen sulfate, [Simp]HSO4 was found to be a highly active and green catalyst for the synthesis of 3,4-dihydropyrimidin-2(1H)-ones (thiones) under the solvent-free conditions. Avoiding organic solvents during the chemical reactions leading to an economic approach is effective. The reactions are characterized by high efficiency, short reaction time, high product yield, simple experimental procedure, availability of catalyst, and environmentally-friendly reaction conditions.

  DOI：

  10.5562/cca3013

文献信息

• A Highly Efficient and Green Catalytic Synthesis of 3,4-dihydro-pyrimidin-2-(1H)-ones (Thiones) Using 3-sulfonic Acid-1-imidazolopyridinium Hydrogen Sulfate under Solvent-free Conditions
  作者：Mohammad Bakherad、Mohaddeseh Javanmardi、Raheleh Doosti、Reza Tayebee

  DOI：10.5562/cca3013

  日期：——

  The ionic liquid catalyst 3-sulfonic acid-1-imidazolopyridinium hydrogen sulfate, [Simp]HSO4 was found to be a highly active and green catalyst for the synthesis of 3,4-dihydropyrimidin-2(1H)-ones (thiones) under the solvent-free conditions. Avoiding organic solvents during the chemical reactions leading to an economic approach is effective. The reactions are characterized by high efficiency, short reaction time, high product yield, simple experimental procedure, availability of catalyst, and environmentally-friendly reaction conditions.