ethyl 4-(4-bromophenyl)-1,6-dimethyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate | 359450-10-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: ethyl 4-(4-bromophenyl)-1,6-dimethyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
• 英文别名: ethyl 6-(4-bromophenyl)-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate
• CAS: 359450-10-5
• 化学式: C₁₅H₁₇BrN₂O₂S
• 分子量: 369.282
• InChiKey: GSKKIJXMPJVWCO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  73.7
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  乙酰乙酸乙酯 、 N-甲硫脲 、 对溴苯甲醛 在 三甲基氯硅烷 作用下， 反应 12.0h， 以81%的产率得到ethyl 4-(4-bromophenyl)-1,6-dimethyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
  参考文献：
  名称：

  Bio-Based Solvent Mediated Synthesis of Dihydropyrimidinthiones Via Biginelli Reaction

  摘要：

  The three-component Biginelli reaction using aldehyde, thiourea, and 1,3-dicarbonyl compounds was performed smoothly in ethyl lactate (EL) with the catalysis of trimethylsilyl chloride (TMSCl). A class of 3,4-dihydropyrimidinthiones (DHPMs) were synthesized in good to excellent yields via the bio-based solvent mediated catalytic protocol.

  DOI：

  10.1080/10426507.2013.855767

文献信息

• Bio-Based Solvent Mediated Synthesis of Dihydropyrimidinthiones Via Biginelli Reaction
  作者：Zhen Xu、Yangyang Jiang、Shuang Zou、Yunyun Liu

  DOI：10.1080/10426507.2013.855767

  日期：2014.6.3

  The three-component Biginelli reaction using aldehyde, thiourea, and 1,3-dicarbonyl compounds was performed smoothly in ethyl lactate (EL) with the catalysis of trimethylsilyl chloride (TMSCl). A class of 3,4-dihydropyrimidinthiones (DHPMs) were synthesized in good to excellent yields via the bio-based solvent mediated catalytic protocol.