ethyl 4-(4-fluorophenyl)-1,4-dihydro-2-(methylthio)-6-phenylpyrimidine-5-carboxylate | 1315574-44-7

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 英文名称: ethyl 4-(4-fluorophenyl)-1,4-dihydro-2-(methylthio)-6-phenylpyrimidine-5-carboxylate
• 英文别名: Ethyl 4-(4-fluorophenyl)-2-methylsulfanyl-6-phenyl-1,4-dihydropyrimidine-5-carboxylate
• CAS: 1315574-44-7
• 化学式: C₂₀H₁₉FN₂O₂S
• 分子量: 370.447
• InChiKey: JJKBCMCEJFZTFC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  26
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  76
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  ethyl 4-(4-fluorophenyl)-1,4-dihydro-2-(methylthio)-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 2.0h， 以94%的产率得到ethyl 4-(4-fluorophenyl)-2-(methylthio)-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
• 作为产物：
  描述：

  S-甲基异硫脲硫酸盐 、 对氟苯甲醛 、 苯甲酰乙酸乙酯 在 碳酸氢钠 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 ethyl 4-(4-fluorophenyl)-1,4-dihydro-2-(methylthio)-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.