methyl 6-methyl-2-(2-thiophenyl)-4-[3-(2-thiophenyl)phenyl]-1,4-dihydropyrimidine-5-carboxylate | 1375148-04-1

• 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: methyl 6-methyl-2-(2-thiophenyl)-4-[3-(2-thiophenyl)phenyl]-1,4-dihydropyrimidine-5-carboxylate
• 英文别名: Methyl 6-methyl-2-thiophen-2-yl-4-(3-thiophen-2-ylphenyl)-1,4-dihydropyrimidine-5-carboxylate；methyl 6-methyl-2-thiophen-2-yl-4-(3-thiophen-2-ylphenyl)-1,4-dihydropyrimidine-5-carboxylate
• CAS: 1375148-04-1
• 化学式: C₂₁H₁₈N₂O₂S₂
• 分子量: 394.518
• InChiKey: YBPMMDFFSIWZLN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  27
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  107
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  methyl 4-(3-bromophenyl)-6-methyl-2-(2-thiophenyl)-1,4-dihydropyrimidine-5-carboxylate 、 2-三丁基甲锡烷基噻吩 在 bis-triphenylphosphine-palladium(II) chloride 作用下， 以 甲苯 为溶剂， 反应 48.0h， 以97%的产率得到methyl 6-methyl-2-(2-thiophenyl)-4-[3-(2-thiophenyl)phenyl]-1,4-dihydropyrimidine-5-carboxylate
  参考文献：
  名称：

  Optimized Liebeskind–Srogl coupling reaction between dihydropyrimidines and tributyltin compounds

  摘要：

  We developed an optimized Liebeskind-Srogl reaction in order to synthesize potentially biologically active 2-aryl-1,4-dihydropyrimidines. The pallado-catalyzed cross-coupling reaction between dihydropyrimidines and tributyltin derivatives appears particularly efficient (67-95% yields) when using CuBr.Me2S as the copper cofactor. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2012.03.067

文献信息

• Optimized Liebeskind–Srogl coupling reaction between dihydropyrimidines and tributyltin compounds
  作者：Qi Sun、Franck Suzenet、Gérald Guillaumet

  DOI：10.1016/j.tetlet.2012.03.067

  日期：2012.5

  We developed an optimized Liebeskind-Srogl reaction in order to synthesize potentially biologically active 2-aryl-1,4-dihydropyrimidines. The pallado-catalyzed cross-coupling reaction between dihydropyrimidines and tributyltin derivatives appears particularly efficient (67-95% yields) when using CuBr.Me2S as the copper cofactor. (C) 2012 Elsevier Ltd. All rights reserved.