N-(4-fluorophenyl)-6-methyl-2-oxo-4-phenyl-1,2-dihydropyrimidine-5-carboxamide | 1273558-50-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N-(4-fluorophenyl)-6-methyl-2-oxo-4-phenyl-1,2-dihydropyrimidine-5-carboxamide
• CAS: 1273558-50-1
• 化学式: C₁₈H₁₄FN₃O₂
• 分子量: 323.326
• InChiKey: XSZXCKJJKWCDDK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.14
• 重原子数：
  24.0
• 可旋转键数：
  3.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  74.85
• 氢给体数：
  2.0
• 氢受体数：
  3.0

反应信息

• 作为产物：
  描述：

  6-methyl-2(1H)-oxo-4-phenyl-3,4-dihydropyrimidine-5-(4'-fluorophenyl)carboxamide 在 (Bu₄N)₂S₂O₈ 作用下， 以 乙腈 为溶剂， 反应 0.08h， 以90%的产率得到N-(4-fluorophenyl)-6-methyl-2-oxo-4-phenyl-1,2-dihydropyrimidine-5-carboxamide
  参考文献：
  名称：

  Ultrasound assisted dehydrogenation of 2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxamides

  摘要：

  Dehydrogenation of various 2-oxo-1,2,3.4-tetrahydropyrimidine-5-carboxamides (THPMs) to 2-oxo-1,2-dihydropyrimidine-5-carboxamides (DHPMs) using tetrabutylammonium peroxydisulfate (TBAPS) as an efficient oxidizing agent under thermal and sono-thermal conditions has been investigated. In contrast to the thermal reaction, a decrease of the amount of oxidant and an increase of the rate of reaction are observed by simultaneously applying heat and ultrasound. The nature of both C-4 and C-5 substituents on the heterocyclic ring influences the rate of reaction under both conditions. The proposed electron-transfer-induced dehydrogenation in this study is supported by conductometric studies. (C) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ultsonch.2010.10.006