5-(2-amino-4-(4-bromophenyl)thiazol-5-yl)-6-hydroxy-1,3-dimethylpyrimidine-2,4(1H,3H)-dione | 1217509-42-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩并嘧啶酮衍生物
• 英文名称: 5-(2-amino-4-(4-bromophenyl)thiazol-5-yl)-6-hydroxy-1,3-dimethylpyrimidine-2,4(1H,3H)-dione
• 英文别名: 5-[2-Amino-4-(4-bromophenyl)thiazol-5-yl]-6-hydroxy-1,3-dimethylpyrimidine-2,4(1h,3h)-dione；5-[2-amino-4-(4-bromophenyl)-1,3-thiazol-5-yl]-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
• CAS: 1217509-42-6
• 化学式: C₁₅H₁₃BrN₄O₃S
• 分子量: 409.263
• InChiKey: NJYADGUILGYEFU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  24
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  128
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  5-(2-amino-4-(4-bromophenyl)thiazol-5-yl)-6-hydroxy-1,3-dimethylpyrimidine-2,4(1H,3H)-dione 、 乙酸酐 在 硫酸 作用下， 以69%的产率得到N-[4-(4-bromophenyl)-5-(6-hydroxy-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)thiazol-2-yl]-acetamide
  参考文献：
  名称：

  Investigations on 5-(2-aryl-2-oxo-ethylidene)-1,3-dimethylbarbituric and thiobarbituric acids: reactions with thioureas and thioacetamide

  摘要：

  Derivatives of 2-amino- and 2-methylthiazole have been synthesized by the reaction of 5-(2-aryl-2-oxoethylidene)-1,3-dimethylbarbituric and thiobarbituric acids with thioureas and thioacetamide, and also by a one-pot synthesis involving thiourea (or thioacetamide), arylglyoxals, 1,3-dimethyl-barbituric (or thiobarbituric) acids. The mechanisms of the studied reactions are discussed.

  DOI：

  10.1007/s10593-009-0365-9
• 作为产物：
  描述：

  5-(2-(4-bromophenyl)-2-oxoethylidene)-1,3-dimethylpyrimidine-2,4,6-trione 、 硫脲 以 乙醇 为溶剂， 以64%的产率得到5-(2-amino-4-(4-bromophenyl)thiazol-5-yl)-6-hydroxy-1,3-dimethylpyrimidine-2,4(1H,3H)-dione
  参考文献：
  名称：

  Investigations on 5-(2-aryl-2-oxo-ethylidene)-1,3-dimethylbarbituric and thiobarbituric acids: reactions with thioureas and thioacetamide

  摘要：

  Derivatives of 2-amino- and 2-methylthiazole have been synthesized by the reaction of 5-(2-aryl-2-oxoethylidene)-1,3-dimethylbarbituric and thiobarbituric acids with thioureas and thioacetamide, and also by a one-pot synthesis involving thiourea (or thioacetamide), arylglyoxals, 1,3-dimethyl-barbituric (or thiobarbituric) acids. The mechanisms of the studied reactions are discussed.

  DOI：

  10.1007/s10593-009-0365-9