ethyl [6-methyl-4-(methylsulfanyl)-2-oxopyrimidin-1(2H)-yl]acetate | 1359871-58-1

• 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 [6-methyl-4-(methylsulfanyl)-2-oxopyrimidin-1(2H)-yl]acetate
• CAS: 1359871-58-1
• 化学式: C₁₀H₁₄N₂O₃S
• 分子量: 242.299
• InChiKey: BITKMTBEQSVIQP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.84
• 重原子数：
  16.0
• 可旋转键数：
  4.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  61.19
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  ethyl [6-methyl-4-(methylsulfanyl)-2-oxopyrimidin-1(2H)-yl]acetate 在 一水合肼 作用下， 以 乙醇 为溶剂， 反应 2.0h， 以98%的产率得到2-[6-methyl-4-(methylsulfanyl)-2-oxopyrimidin-1(2H)-yl]acetohydrazide
  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：

  氯乙酸乙酯 、 4-甲基-6-(甲基硫代)嘧啶-2-醇 在 potassium carbonate 作用下， 以 丙酮 为溶剂， 以71%的产率得到ethyl [6-methyl-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