N-benzyl-4-(4-bromophenyl)-1,2,3,4-tetrahydro-6-methyl-2-thioxopyrimidine-5-carboxamide | 895024-47-2

• 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: N-benzyl-4-(4-bromophenyl)-1,2,3,4-tetrahydro-6-methyl-2-thioxopyrimidine-5-carboxamide
• 英文别名: N-benzyl-4-(4-bromophenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
• CAS: 895024-47-2
• 化学式: C₁₉H₁₈BrN₃OS
• 分子量: 416.341
• InChiKey: BOUSLVHGVOFMJM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  25
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  85.2
• 氢给体数：
  3
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  乙酰乙酰苄胺（AABA） 、 对溴苯甲醛 、 硫脲 在 对甲苯磺酸 作用下， 以 二氯甲烷 为溶剂， 反应 1.5h， 以76%的产率得到N-benzyl-4-(4-bromophenyl)-1,2,3,4-tetrahydro-6-methyl-2-thioxopyrimidine-5-carboxamide
  参考文献：
  名称：

  Diketene as an alternative substrate for a new Biginelli-like multicomponent reaction: one-pot synthesis of 5-carboxamide substituted 3,4-dihydropyrimidine-2(1H)ones

  摘要：

  5-Carboxamide substituted 3,4-dihydropyrimidine-2(1H)one derivatives were synthesized in a simple and efficient method from the one-pot four-component reactions of an aliphatic or aromatic amine, diketene, an aromatic aldehyde and urea or thiourea in the presence of p-toluenesulfonic acid as a catalyst under mild reaction conditions at ambient temperature. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2010.04.028

文献信息

• Diketene as an alternative substrate for a new Biginelli-like multicomponent reaction: one-pot synthesis of 5-carboxamide substituted 3,4-dihydropyrimidine-2(1H)ones
  作者：Ahmad Shaabani、Mozhdeh Seyyedhamzeh、Ali Maleki、Fatemeh Hajishaabanha

  DOI：10.1016/j.tet.2010.04.028

  日期：2010.6

  5-Carboxamide substituted 3,4-dihydropyrimidine-2(1H)one derivatives were synthesized in a simple and efficient method from the one-pot four-component reactions of an aliphatic or aromatic amine, diketene, an aromatic aldehyde and urea or thiourea in the presence of p-toluenesulfonic acid as a catalyst under mild reaction conditions at ambient temperature. (C) 2010 Elsevier Ltd. All rights reserved.