3,3'-(hexane-1,6-diyl)bis(2-(((4-amino-2-(methylthio)pyrimidin-5-yl)methylene)hydrazono)thiazolidin-4-one) | 1179401-13-8

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 3,3'-(hexane-1,6-diyl)bis(2-(((4-amino-2-(methylthio)pyrimidin-5-yl)methylene)hydrazono)thiazolidin-4-one)
• CAS: 1179401-13-8
• 化学式: C₂₄H₃₀N₁₂O₂S₄
• 分子量: 646.845
• InChiKey: MYTLQKSLZVLQQZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.67
• 重原子数：
  42.0
• 可旋转键数：
  13.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  193.66
• 氢给体数：
  2.0
• 氢受体数：
  16.0

反应信息

• 作为产物：
  描述：

  N,N'-(hexane-1,6-diyl)bis(2-((4-amino-2-(methylthio)pyrimidin-5-yl)methylene)hydrazinocarbothioamide) 、 溴乙酸乙酯 在 sodium acetate 作用下， 以 乙醇 为溶剂， 以70%的产率得到3,3'-(hexane-1,6-diyl)bis(2-(((4-amino-2-(methylthio)pyrimidin-5-yl)methylene)hydrazono)thiazolidin-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