1-(4-ethoxy-phenyl)-2-thioxo-dihydro-pyrimidine-4,6-dione | 91393-32-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-(4-ethoxy-phenyl)-2-thioxo-dihydro-pyrimidine-4,6-dione
• 英文别名: 1-p-Ethoxyphenyl-2-thiobarbitursaeure；1-(4-Ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
• CAS: 91393-32-7
• 化学式: C₁₂H₁₂N₂O₃S
• mdl: MFCD01666051
• 分子量: 264.305
• InChiKey: GYZMDSSTMINRRY-UHFFFAOYSA-N

物化性质

• 密度：
  1.39±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  90.7
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4,9-二氢-3H-吡啶并(3,4-B)吲哚 、 1-(4-ethoxy-phenyl)-2-thioxo-dihydro-pyrimidine-4,6-dione 以 various solvent(s) 为溶剂， 反应 1.0h， 以85%的产率得到6-hydroxy-1-(p-ethoxyphenyl)-5-(2,3,4,9-tetrahydro-1H-β-carbolin-1-yl)-2-thioxo-2,3-dihydro-1H-pyrimidin-4-one
  参考文献：
  名称：

  摘要：

  Addition of N-substituted barbituric and 2-thiobarbituric acids to 3,4-dihydro-beta-carboline results in formation of N-alkyl-6-hydroxy-5-(2,3,4,9-tetrahydro-1H-beta-carbolin-1-yl)-1H-pyrimidine-2,4-diones and their 2-thioanalogs, which are structural analogs of alkaloids from annomontin group. Acylation of 1,3-dimethyl-substituted adduct is accompanied by opening of the tetrahydropyridine ring furnishing N-{2-[2-(1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5-ylidenomethyl)-1H-indol-3-yl] ethyl} acetamide. The structure of compounds synthesized was studied by means of H-1 NMR spectroscopy.

  DOI：

  10.1023/a:1026028405999

文献信息

• ——
  作者：K. A. Krasnov、V. G. Kartsev、M. N. Yurova

  DOI：10.1023/a:1026028405999

  日期：——

  Addition of N-substituted barbituric and 2-thiobarbituric acids to 3,4-dihydro-beta-carboline results in formation of N-alkyl-6-hydroxy-5-(2,3,4,9-tetrahydro-1H-beta-carbolin-1-yl)-1H-pyrimidine-2,4-diones and their 2-thioanalogs, which are structural analogs of alkaloids from annomontin group. Acylation of 1,3-dimethyl-substituted adduct is accompanied by opening of the tetrahydropyridine ring furnishing N-2-[2-(1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5-ylidenomethyl)-1H-indol-3-yl] ethyl} acetamide. The structure of compounds synthesized was studied by means of H-1 NMR spectroscopy.