methyl 5-benzoyl-2-oxo-6-phenyl-1,2,3,6-tetrahydropyrimidine-4-carboxylate | 893772-34-4

• 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: methyl 5-benzoyl-2-oxo-6-phenyl-1,2,3,6-tetrahydropyrimidine-4-carboxylate
• 英文别名: methyl 5-benzoyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-6-carboxylate
• CAS: 893772-34-4
• 化学式: C₁₉H₁₆N₂O₄
• 分子量: 336.347
• InChiKey: SGYBCDQFLNSPMR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  25
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  84.5
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  methyl 5-benzoyl-2-oxo-6-phenyl-1,2,3,6-tetrahydropyrimidine-4-carboxylate 、 一水合肼 以57%的产率得到8-hydroxy-4,5-diphenyl-3,4-dihydropyrimido[4,5-d]pyridazin-2(1H)-one
  参考文献：
  名称：

  Synthesis of methyl esters of 5-aroyl-6-aryl-2-oxo-1,2,3,6-tetra-hydropyrimidine-4-carboxylic acids

  摘要：

  Methyl esters of 5-aroyl-6-aryl-2-oxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acids were synthesized from three component mixtures of methyl esters of aroylpyruvic acids, urea, and substituted benzaldehydes. 8-Hydroxy-4,5-diphenyl-3,4-dihydropyrimido[4,5-d]pyridazin-2( 1H)-one was synthesized by the reaction of 5-benzoyl-2-oxo-6-phenyl-1,2,3,6-tetrahydropyrimidin-4-carboxylate with hydrazine hydrate.

  DOI：

  10.1007/s10593-009-0353-0
• 作为产物：
  描述：

  METHYL (2Z)-2-HYDROXY-4-OXO-4-PHENYLBUT-2-ENOATE 、 苯甲醛 、 尿素 反应 0.5h， 以79%的产率得到methyl 5-benzoyl-2-oxo-6-phenyl-1,2,3,6-tetrahydropyrimidine-4-carboxylate
  参考文献：
  名称：

  Synthesis of methyl esters of 5-aroyl-6-aryl-2-oxo-1,2,3,6-tetra-hydropyrimidine-4-carboxylic acids

  摘要：

  Methyl esters of 5-aroyl-6-aryl-2-oxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acids were synthesized from three component mixtures of methyl esters of aroylpyruvic acids, urea, and substituted benzaldehydes. 8-Hydroxy-4,5-diphenyl-3,4-dihydropyrimido[4,5-d]pyridazin-2( 1H)-one was synthesized by the reaction of 5-benzoyl-2-oxo-6-phenyl-1,2,3,6-tetrahydropyrimidin-4-carboxylate with hydrazine hydrate.

  DOI：

  10.1007/s10593-009-0353-0