tert-butyl 1-(4-methoxybenzyl)-6-methyl-2-oxo-4-trifluoromethyl-1,2-dihydropyrimidine-5-carboxylate | 1397257-88-3

• 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: tert-butyl 1-(4-methoxybenzyl)-6-methyl-2-oxo-4-trifluoromethyl-1,2-dihydropyrimidine-5-carboxylate
• 英文别名: Tert-butyl 1-[(4-methoxyphenyl)methyl]-6-methyl-2-oxo-4-(trifluoromethyl)pyrimidine-5-carboxylate
• CAS: 1397257-88-3
• 化学式: C₁₉H₂₁F₃N₂O₄
• 分子量: 398.382
• InChiKey: JNBCIOLJUPFVIK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  28
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  68.2
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  N-benzyloxycarbonyl-2,2,2-trifluoroacetimidoyl chloride 、 tert-butyl 3-[(4-methoxyphenyl)methylamino]but-2-enoate 在 N,N-二异丙基乙胺 作用下， 以 甲苯 为溶剂， 反应 12.0h， 以55%的产率得到tert-butyl 1-(4-methoxybenzyl)-6-methyl-2-oxo-4-trifluoromethyl-1,2-dihydropyrimidine-5-carboxylate
  参考文献：
  名称：

  Heterocyclization of N-(1-chloro-2,2,2-trifluoroethylidene)carbamates with β-enaminoesters—a novel synthetic strategy to functionalized trifluoromethylated pyrimidines

  摘要：

  A novel synthetic strategy to 4-trifluoromethyl substituted 2-oxo-1,2-dihydropyrimidine-5-carboxylates has been developed based on the cyclocondensation of beta-enaminoesters with N-(1-chloro-2,2,2trifluoroethylidene)carbamates. (c) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2012.07.099

文献信息

• Heterocyclization of N-(1-chloro-2,2,2-trifluoroethylidene)carbamates with β-enaminoesters—a novel synthetic strategy to functionalized trifluoromethylated pyrimidines
  作者：Volodymyr A. Sukach、Viktor M. Tkachuk、Eduard B. Rusanov、Gerd-Volker Röschenthaler、Mykhaylo V. Vovk

  DOI：10.1016/j.tet.2012.07.099

  日期：2012.10

  A novel synthetic strategy to 4-trifluoromethyl substituted 2-oxo-1,2-dihydropyrimidine-5-carboxylates has been developed based on the cyclocondensation of beta-enaminoesters with N-(1-chloro-2,2,2trifluoroethylidene)carbamates. (c) 2012 Elsevier Ltd. All rights reserved.