1-((4-amino-2-(methylthio)pyrimidin-5-yl)methylene)-4-iso-propylthiosemicarbazide | 1063628-93-2

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 1-((4-amino-2-(methylthio)pyrimidin-5-yl)methylene)-4-iso-propylthiosemicarbazide
• CAS: 1063628-93-2
• 化学式: C₁₀H₁₆N₆S₂
• 分子量: 284.409
• InChiKey: CSZUQCBSYSPGDE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.99
• 重原子数：
  18.0
• 可旋转键数：
  4.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  88.22
• 氢给体数：
  3.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  1-((4-amino-2-(methylthio)pyrimidin-5-yl)methylene)-4-iso-propylthiosemicarbazide 、 溴乙酸乙酯 在 sodium acetate 作用下， 以 乙醇 为溶剂， 以65%的产率得到2-(2-((4-amino-2-(methylthio)pyrimidin-5-yl)methylene)hydrazono)-3-isopropylthiazolidin-4-one
  参考文献：
  名称：

  Synthesis and Characterization of New Thiazolidin-4-one Derivatives

  摘要：

  The synthesis of some new functionalized thiazolidin-4-one derivatives has been described. The N-substituted-thiosemicarbazides 3a-3i were obtained though the reaction of alkylamines 2a-2i, carbon disulfide, and hydrazine hydrate. The condensation reaction between 3a-3i and 4-amino-2-methanesulfanylpyrimidine-5-carboxaldehyde 1 afforded the thiosemicarbazones 4a-4i. The corresponding thiazolidin-4-ones 5a-5i were prepared by cyclization of 4a-4i with ethyl bromoacetate. The structures of the final products were confirmed by IR, 1H NMR, 13C NMR, and HRMS.

  DOI：

  10.1080/10426500802203053
• 作为产物：
  描述：

  4-氨基-2-甲巯基嘧啶-5-甲醛 、 4-异丙基-3-氨基硫脲 在 溶剂黄146 作用下， 以 乙醇 为溶剂， 以86%的产率得到1-((4-amino-2-(methylthio)pyrimidin-5-yl)methylene)-4-iso-propylthiosemicarbazide
  参考文献：
  名称：

  Synthesis and Characterization of New Thiazolidin-4-one Derivatives

  摘要：

  The synthesis of some new functionalized thiazolidin-4-one derivatives has been described. The N-substituted-thiosemicarbazides 3a-3i were obtained though the reaction of alkylamines 2a-2i, carbon disulfide, and hydrazine hydrate. The condensation reaction between 3a-3i and 4-amino-2-methanesulfanylpyrimidine-5-carboxaldehyde 1 afforded the thiosemicarbazones 4a-4i. The corresponding thiazolidin-4-ones 5a-5i were prepared by cyclization of 4a-4i with ethyl bromoacetate. The structures of the final products were confirmed by IR, 1H NMR, 13C NMR, and HRMS.

  DOI：

  10.1080/10426500802203053