6-(3,5-dibromo-2,4-dihydroxybenzoyl)-2-thioxo-1,3-dihydroquinazolin-4-one

• 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: 6-(3,5-dibromo-2,4-dihydroxybenzoyl)-2-thioxo-1,3-dihydroquinazolin-4-one
• 英文别名: 6-(3,5-dibromo-2,4-dihydroxybenzoyl)-2-sulfanylidene-1H-quinazolin-4-one
• 化学式: C₁₅H₈Br₂N₂O₄S
• 分子量: 472.114
• InChiKey: VOAVGHLTENMWPS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  24
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  131
• 氢给体数：
  4
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  7-羟基-4-氧代-4H-1-苯并吡喃-3-羧醛 在 哌啶 、 溴 、 溶剂黄146 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 3.0h， 生成 6-(3,5-dibromo-2,4-dihydroxybenzoyl)-2-thioxo-1,3-dihydroquinazolin-4-one
  参考文献：
  名称：

  Studies on the Chemical Behavior of the Novel 6,8-Dibromo-7-hydroxychromone-3-carboxaldehyde towards Some Carbon Nucleophilic Reagents

  摘要：

  A novel 6,8-dibromo-7-hydroxychromone-3-carboxaldehyde (4) was prepared by the Vilsemier-Haack formylation of 3,5-dibromo-2,4-dihydroxy acetophenone (3). The chemical reactivity of carboxaldehyde 4 was studied towards some carbon nucleophiles as cyclic and acyclic active methylene nucleophiles and also 1,3-C,N- and 1,3-C,C-binucleophiles as a route to achieve ring transformation to produce a variety of heterocyclic systems. Structures of the newly synthesized products have been deduced on the basis of elemental analysis and spectral data.

  DOI：

  10.3987/com-13-12709

文献信息

• Studies on the Chemical Behavior of the Novel 6,8-Dibromo-7-hydroxychromone-3-carboxaldehyde towards Some Carbon Nucleophilic Reagents
  作者：Magdy A. Ibrahim、Tarik E. Ali、Azza M. El-Kazak、Amira M. Mohamed

  DOI：10.3987/com-13-12709

  日期：——

  A novel 6,8-dibromo-7-hydroxychromone-3-carboxaldehyde (4) was prepared by the Vilsemier-Haack formylation of 3,5-dibromo-2,4-dihydroxy acetophenone (3). The chemical reactivity of carboxaldehyde 4 was studied towards some carbon nucleophiles as cyclic and acyclic active methylene nucleophiles and also 1,3-C,N- and 1,3-C,C-binucleophiles as a route to achieve ring transformation to produce a variety of heterocyclic systems. Structures of the newly synthesized products have been deduced on the basis of elemental analysis and spectral data.