ethyl 4-(4-methoxyphenyl)-6-methyl-3-(morpholinomethyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate | 1189181-75-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: ethyl 4-(4-methoxyphenyl)-6-methyl-3-(morpholinomethyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
• CAS: 1189181-75-6
• 化学式: C₂₀H₂₇N₃O₅
• 分子量: 389.451
• InChiKey: ZKFREKRMQHHYFR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.89
• 重原子数：
  28.0
• 可旋转键数：
  6.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  80.34
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为产物：
  描述：

  吗啉 、 聚合甲醛 、 ethyl 4-(4-methoxyphenyl)-6-methyl-1,2,3,4-tetrahydropyrimidin-2-one-5-carboxylate 在 三甲基氯硅烷 作用下， 以 甲醇 为溶剂， 反应 8.0h， 以90%的产率得到ethyl 4-(4-methoxyphenyl)-6-methyl-3-(morpholinomethyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
  参考文献：
  名称：

  One-Pot Two-Step Synthesis of N3-Functionalized 3,4-Dihydropyrimidinones in the Presence of TMSCl

  摘要：

  Novel 3,4-dihydropyrimidinones modified with N3-alkyloxymethyl, aminomethyl, arylsulfonylmethyl, and azidomethyl groups can be regioselectively obtained over their isomeric NI compounds in good yields by reaction of 3,4-dihydropyrimidinones with paraformaldehyde and alcohol, amine, sodium benzenesulfinate, and sodium azide, respectively, by a one-pot two-step strategy in the presence of chlorotrimethylsilane. The advantages of this method are the simple procedure, the high regioselectivity of the products, no requirement for a base catalyst, and the mild reaction conditions.

  DOI：

  10.3987/com-10-11968