Methyl 3-hydroxy-4-methylsulfanylthiophene-2-carboxylate | 177938-05-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩类
• 英文名称: Methyl 3-hydroxy-4-methylsulfanylthiophene-2-carboxylate
• 英文别名: methyl 3-hydroxy-4-methylsulfanylthiophene-2-carboxylate
• CAS: 177938-05-5
• 化学式: C₇H₈O₃S₂
• 分子量: 204.271
• InChiKey: ZSRNQNIWMULEDJ-UHFFFAOYSA-N

物化性质

• 沸点：
  282.8±40.0 °C(Predicted)
• 密度：
  1.42±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  100
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  Methyl 3-hydroxy-4-methylsulfanylthiophene-2-carboxylate 在 sodium hydroxide 、 potassium carbonate 作用下， 以 丙酮 为溶剂， 反应 12.5h， 生成 3-Methoxy-4-methylsulfanyl-thiophene
  参考文献：
  名称：

  A New Route for the Synthesis of 3-Methoxythiophenes

  摘要：

  A new synthesis of 4-substituted, 5-substituted and 4,5-disubstituted 3-methoxythiophenes is reported. The reaction takes place in three steps in nealy quantitative yields starting from methyl 3-hydroxythiophene-2-carboxylates.

  DOI：

  10.3987/com-96-7512
• 作为产物：
  描述：

  巯基乙酸甲酯 、 methyl 2-methylthio-3-oxopropionate 在 盐酸 、 sodium methylate 作用下， 生成 Methyl 3-hydroxy-4-methylsulfanylthiophene-2-carboxylate 、 methyl 3-(methoxycarbonylmethylthio)-2-methylthioacrylate
  参考文献：
  名称：

  Synthesis of 4-Substituted Methyl 3-(2,3-Epoxy)propoxythiophene-2-carboxylates

  摘要：

  The synthesis of 4-substituted methyl 3-hydroxythiophene-2-carboxylates is reported. The selective O-alkylation by two methods of these compounds gives the correspondent epoxy derivatives.

  DOI：

  10.3987/com-95-7324

文献信息

• A New Route for the Synthesis of 3-Methoxythiophenes
  作者：Jaime Lissavetzky、Ignacio Manzanares

  DOI：10.3987/com-96-7512

  日期：——

  A new synthesis of 4-substituted, 5-substituted and 4,5-disubstituted 3-methoxythiophenes is reported. The reaction takes place in three steps in nealy quantitative yields starting from methyl 3-hydroxythiophene-2-carboxylates.
• Synthesis of 4-Substituted Methyl 3-(2,3-Epoxy)propoxythiophene-2-carboxylates
  作者：Jaime Lissavetzky、Ignacio Manzanares

  DOI：10.3987/com-95-7324

  日期：——

  The synthesis of 4-substituted methyl 3-hydroxythiophene-2-carboxylates is reported. The selective O-alkylation by two methods of these compounds gives the correspondent epoxy derivatives.