ethyl [4-(methylsulfanyl)-2-oxopyrimidin-1(2H)-yl]acetate | 675197-28-1

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: ethyl [4-(methylsulfanyl)-2-oxopyrimidin-1(2H)-yl]acetate
• 英文别名: Ethyl 2-(4-methylsulfanyl-2-oxopyrimidin-1-yl)acetate
• CAS: 675197-28-1
• 化学式: C₉H₁₂N₂O₃S
• 分子量: 228.272
• InChiKey: WJUULRDXAWRSOJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  15
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  84.3
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  ethyl [4-(methylsulfanyl)-2-oxopyrimidin-1(2H)-yl]acetate 在 盐酸 、 一水合肼 、 三乙胺 、 sodium nitrite 作用下， 以 乙醇 、 水 、 溶剂黄146 、 乙酸乙酯 为溶剂， 反应 26.58h， 生成 N-{[4-(methylsulfanyl)-2-oxopyrimidin-1(2H)-yl]acetyl}-L-valine methyl ester
  参考文献：
  名称：

  Synthesis and anti-hepatitis B virus activity of new pyrimidine peptide nucleic acid analogs

  摘要：

  A series of 4-methylsulfanylpyrimidin-2(1H)-one peptide nucleic acid analogs were synthesized and tested for their antiviral activity against hepatitis B virus. Plaque reduction infectivity assay was used to determine the virus count reduction as a result of treatment with tested compounds.

  DOI：

  10.1007/s10593-012-0905-6
• 作为产物：
  描述：

  4-(甲硫基)-2(1H)-嘧啶酮 、 氯乙酸乙酯 在 potassium carbonate 作用下， 以 丙酮 为溶剂， 以75%的产率得到ethyl [4-(methylsulfanyl)-2-oxopyrimidin-1(2H)-yl]acetate
  参考文献：
  名称：

  Synthesis and anti-hepatitis B virus activity of new pyrimidine peptide nucleic acid analogs

  摘要：

  A series of 4-methylsulfanylpyrimidin-2(1H)-one peptide nucleic acid analogs were synthesized and tested for their antiviral activity against hepatitis B virus. Plaque reduction infectivity assay was used to determine the virus count reduction as a result of treatment with tested compounds.

  DOI：

  10.1007/s10593-012-0905-6

文献信息

• Synthesis and anti-hepatitis B virus activity of new pyrimidine peptide nucleic acid analogs
  作者：R. A. K. Al-Harbi、A. A.-H. Abdel-Rahman

  DOI：10.1007/s10593-012-0905-6

  日期：2012.1

  A series of 4-methylsulfanylpyrimidin-2(1H)-one peptide nucleic acid analogs were synthesized and tested for their antiviral activity against hepatitis B virus. Plaque reduction infectivity assay was used to determine the virus count reduction as a result of treatment with tested compounds.