5-(4-bromopyrazol-1-yl)-2-thioxo-2,3-dihydro-1H-pyrimidin-4-one | 925224-14-2

• 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: 5-(4-bromopyrazol-1-yl)-2-thioxo-2,3-dihydro-1H-pyrimidin-4-one
• 英文别名: 5-(4-bromopyrazol-1-yl)-2-sulfanylidene-1H-pyrimidin-4-one
• CAS: 925224-14-2
• 化学式: C₇H₅BrN₄OS
• 分子量: 273.113
• InChiKey: PCKPGIQYHPYEDO-UHFFFAOYSA-N

物化性质

• 熔点：
  191-193 °C (decomp)
• 密度：
  2.07±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  91
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  4-溴-1H-吡唑-1-乙酸乙酯 以 N,N-二甲基甲酰胺 、 均三甲苯 为溶剂， 反应 0.83h， 生成 5-(4-bromopyrazol-1-yl)-2-thioxo-2,3-dihydro-1H-pyrimidin-4-one
  参考文献：
  名称：

  Microwave-assisted synthesis of bipyrazolyls and pyrazolyl-substituted pyrimidines

  摘要：

  We describe the preparation of 1,4'-bipyrazolyls and 4-pyrazolylpyrimidines by the reaction of 2-pyrazolyl-3-dimethylamino acrylate and acrylonitrile with double nucleophilic reagents such as hydrazines, urea and guanidine. Reactions were performed under microwave irradiation in 5-60 min. This is a useful procedure for the preparation of valuable compounds with applications in medicinal and coordination chemistry. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2006.10.080

文献信息

• Microwave-assisted synthesis of bipyrazolyls and pyrazolyl-substituted pyrimidines
  作者：Antonio de la Hoz、Angel Díaz、José Elguero、Agustín Jiménez、Andrés Moreno、Amparo Ruiz、Ana Sánchez-Migallón

  DOI：10.1016/j.tet.2006.10.080

  日期：2007.1

  We describe the preparation of 1,4'-bipyrazolyls and 4-pyrazolylpyrimidines by the reaction of 2-pyrazolyl-3-dimethylamino acrylate and acrylonitrile with double nucleophilic reagents such as hydrazines, urea and guanidine. Reactions were performed under microwave irradiation in 5-60 min. This is a useful procedure for the preparation of valuable compounds with applications in medicinal and coordination chemistry. (c) 2006 Elsevier Ltd. All rights reserved.