ethyl 4-(3-bromophenyl)-1,2-dihydro-2-oxo-6-phenylpyrimidine-5-carboxylate | 1315574-42-5

• 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-(3-bromophenyl)-1,2-dihydro-2-oxo-6-phenylpyrimidine-5-carboxylate
• CAS: 1315574-42-5
• 化学式: C₁₉H₁₅BrN₂O₃
• 分子量: 399.244
• InChiKey: PMNWJOFDMJCOFY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.04
• 重原子数：
  25.0
• 可旋转键数：
  4.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  72.05
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  ethyl 4-(3-bromophenyl)-1,2,3,4-tetrahydro-2-oxo-6-phenylpyrimidine-5-carboxylate 在 N-羟基邻苯二甲酰亚胺 、 氧气 、 cobalt(II) diacetate tetrahydrate 作用下， 以 二氯甲烷 为溶剂， 80.0 ℃ 、101.33 kPa 条件下， 反应 1.0h， 以93%的产率得到ethyl 4-(3-bromophenyl)-1,2-dihydro-2-oxo-6-phenylpyrimidine-5-carboxylate
  参考文献：
  名称：

  Efficient aerobic oxidative dehydrogenation of dihydropyrimidinones and dihydropyrimidines

  摘要：

  4-Substituted dihydropyrimidinones and dihydropyrimidines were first efficient aerobic oxidized to the corresponding pyrimidinones and pyrimidines, respectively, in high yields by molecular oxygen in the presence of catalytic amount of N-hydroxyphthalimide (NHPI) and Co(OAc)(2) in a mild and environmental benign condition. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2011.05.105

文献信息

• Efficient aerobic oxidative dehydrogenation of dihydropyrimidinones and dihydropyrimidines
  作者：Bing Han、Run-Feng Han、Yu-Wei Ren、Xiao-Yong Duan、Yi-Chuan Xu、Wei Zhang

  DOI：10.1016/j.tet.2011.05.105

  日期：2011.8

  4-Substituted dihydropyrimidinones and dihydropyrimidines were first efficient aerobic oxidized to the corresponding pyrimidinones and pyrimidines, respectively, in high yields by molecular oxygen in the presence of catalytic amount of N-hydroxyphthalimide (NHPI) and Co(OAc)(2) in a mild and environmental benign condition. (C) 2011 Elsevier Ltd. All rights reserved.