ethyl 2-(2-furanyl)-6-methyl-4-phenyl-1,4-dihydropyrimidine-5-carboxylate | 1040243-96-6

• 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 2-(2-furanyl)-6-methyl-4-phenyl-1,4-dihydropyrimidine-5-carboxylate
• 英文别名: ethyl 2-(furan-2-yl)-4-phenyl-6-methyl-1,4-dihydropyrimidin-5-carboxylate；ethyl 2-(furan-2-yl)-4-phenyl-6-methyl-1,4-dihyropyrimidin-5-carboxylate；ethyl 2-(furan-2-yl)-6-methyl-4-phenyl-1,4-dihydropyrimidine-5-carboxylate
• CAS: 1040243-96-6
• 化学式: C₁₈H₁₈N₂O₃
• 分子量: 310.353
• InChiKey: GEIGGYZGNSJEGW-UHFFFAOYSA-N

物化性质

• 沸点：
  472.2±45.0 °C(Predicted)
• 密度：
  1.21±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  23
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  63.8
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  6-甲基-4-苯基-2-硫代-1,2,3,4-四氢嘧啶-5-羧酸乙酯 、 2-(三丁基锡烷基)呋喃 在 四(三苯基膦)钯 、 copper(I) bromide dimethylsulfide complex 作用下， 以 四氢呋喃 为溶剂， 反应 24.0h， 以88%的产率得到ethyl 2-(2-furanyl)-6-methyl-4-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

• DIHYDROPYRIMIDINE COMPOUNDS AND THEIR USES IN MANUFACTURE OF A MEDICAMENT FOR TREATMENT AND PREVENTION OF VIRAL DISEASES
  申请人：Li Song

  公开号：US20100010013A1

  公开（公告）日：2010-01-14

  The present invention relates to compounds of the formula (I) or pharmaceutically acceptable salts or hydrates thereof. The present invention further relates to processes for the preparation of the compounds of formula (I) and optical isomers and to use of the compounds of formula (I), isomers, pharmaceutically acceptable salts or hydrates thereof as medicaments, in particular as medicaments for the treatment and prevention of Hepatitis B.

  本发明涉及公式(I)的化合物或其药学上可接受的盐或水合物。本发明还涉及制备公式(I)化合物和光学异构体的过程，以及将公式(I)化合物、异构体、药学上可接受的盐或水合物用作药物的用途，尤其是用于治疗和预防乙型肝炎的药物。
• Dihydropyrimidine compounds and their uses in manufacture of a medicament for treatment and prevention of viral diseases
  申请人：Beijing Molecule Science and Technology Co., Ltd

  公开号：US08106196B2

  公开（公告）日：2012-01-31

  The present invention relates to compounds of the formula (I) or pharmaceutically acceptable salts or hydrates thereof. The present invention further relates to processes for the preparation of the compounds of formula (I) and optical isomers and to use of the compounds of formula (I), isomers, pharmaceutically acceptable salts or hydrates thereof as medicaments, in particular as medicaments for the treatment and prevention of Hepatitis B.

  本发明涉及式(I)化合物或其药学上可接受的盐或水合物。本发明还涉及制备式(I)化合物及其光学异构体的方法，以及将式(I)化合物、异构体、药学上可接受的盐或水合物作为药物的用途，特别是作为治疗和预防乙型肝炎的药物。
• NEW DIHYDROPYRIMIDINE COMPOUNDS AND THEIR USES IN MANUFACTURES OF PHARMACEUTICAL MEDICAMENTS FOR TREATMENT AND PREVENTION AGAINST VIROSIS
  申请人：Beijing Molecule Science and Technology Co., Ltd.

  公开号：EP2135866B1

  公开（公告）日：2014-07-02
• US8106196B2
  申请人：——

  公开号：US8106196B2

  公开（公告）日：2012-01-31
• 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.