Ethyl 3-(benzenesulfonylmethyl)-6-methyl-2-oxo-4-phenyl-1,4-dihydropyrimidine-5-carboxylate | 1254330-76-1

• 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 3-(benzenesulfonylmethyl)-6-methyl-2-oxo-4-phenyl-1,4-dihydropyrimidine-5-carboxylate
• 英文别名: ethyl 3-(benzenesulfonylmethyl)-6-methyl-2-oxo-4-phenyl-1,4-dihydropyrimidine-5-carboxylate
• CAS: 1254330-76-1
• 化学式: C₂₁H₂₂N₂O₅S
• 分子量: 414.482
• InChiKey: UANWIQKZTZVUSV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  29
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  101
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  聚合甲醛 、 6-甲基-2-氧代-4-苯基-1,2,3,4-四氢-5-嘧啶羧酸乙酯 、 sodium benzenesulfonate 在 三甲基氯硅烷 作用下， 以 二氯甲烷 为溶剂， 反应 36.0h， 以76%的产率得到Ethyl 3-(benzenesulfonylmethyl)-6-methyl-2-oxo-4-phenyl-1,4-dihydropyrimidine-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

文献信息

• One-Pot Two-Step Synthesis of N3-Functionalized 3,4-Dihydropyrimidinones in the Presence of TMSCl
  作者：Zheng-Jun Quan、Xi-Cun Wang、Rong-Guo Ren、Yu-Xia Da、Zhang Zhang、Xiao-Dong Jia、Cai-Xia Yang

  DOI：10.3987/com-10-11968

  日期：——

  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.