1-[(5-(ethoxycarbonyl)-2-oxo-6-methyl-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]pyridinium bromide | 1301707-14-1

• 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: 1-[(5-(ethoxycarbonyl)-2-oxo-6-methyl-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]pyridinium bromide
• 英文别名: ethyl 4-methyl-2-oxo-6-(pyridin-1-ium-1-ylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate;bromide
• CAS: 1301707-14-1
• 化学式: Br*C₁₄H₁₈N₃O₃
• 分子量: 356.219
• InChiKey: MNMNMBUEXGDBBZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -2.5
• 重原子数：
  21
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  71.3
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  吡啶 、 ethyl 6-(bromomethyl)-2-oxo-4-methyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate 以 四氢呋喃 为溶剂， 反应 0.33h， 以83%的产率得到1-[(5-(ethoxycarbonyl)-2-oxo-6-methyl-1,2,3,6-tetrahydropyrimidin-4-yl)methyl]pyridinium bromide
  参考文献：
  名称：

  Synthesis and Antimicrobial Evaluation of Some New Tetrahydropyrimidine Derivatives

  摘要：

  The utility of 1,2,3,4-tetrahydropyrimidine-5-carboxylate (1a,b), and 1,2-dihydropyrimidine-5-carboxylate (2) in the synthesis of some new functionalized pyrimidine derivatives such as 6-(2-(dimethylamino)vinyl)-1,2,3,4-tetrahydropyrimidine, 6-(1-cyano-2-(phenylamino)-2-thioxoethyl)-1,2,3,4-tetrahydropyrimidine and 4,6-distyryl-1,2-dihydropyrimidine derivatives is reported. Antimicrobial evaluation of some selected examples from the synthesized products was carried out and showed promising results.

  DOI：

  10.3987/com-10-12104

文献信息

• Synthesis and Antimicrobial Evaluation of Some New Tetrahydropyrimidine Derivatives
  作者：Nabila A. Kheder、Yahia N. Mabkhot、Ahmad M. Farag

  DOI：10.3987/com-10-12104

  日期：——

  The utility of 1,2,3,4-tetrahydropyrimidine-5-carboxylate (1a,b), and 1,2-dihydropyrimidine-5-carboxylate (2) in the synthesis of some new functionalized pyrimidine derivatives such as 6-(2-(dimethylamino)vinyl)-1,2,3,4-tetrahydropyrimidine, 6-(1-cyano-2-(phenylamino)-2-thioxoethyl)-1,2,3,4-tetrahydropyrimidine and 4,6-distyryl-1,2-dihydropyrimidine derivatives is reported. Antimicrobial evaluation of some selected examples from the synthesized products was carried out and showed promising results.