3-[2-Anilino-4-(3-bromophenyl)pyrimidin-5-yl]oxybenzamide | 1221412-63-0

• 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: 3-[2-Anilino-4-(3-bromophenyl)pyrimidin-5-yl]oxybenzamide
• 英文别名: 3-[2-anilino-4-(3-bromophenyl)pyrimidin-5-yl]oxybenzamide
• CAS: 1221412-63-0
• 化学式: C₂₃H₁₇BrN₄O₂
• 分子量: 461.318
• InChiKey: MXEBJIBDCHFFKP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  30
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  90.1
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  苯基胍 、 4-((((9H-fluoren-9-yl)methoxy)carbonyl)(benzyl)amino)benzoic acid 在 六甲基磷酰三胺 、 2-叔丁基亚氨基-2-二乙基氨基-1,3-二甲基全氢-1,3,2-二氮杂磷 、 三氟乙酸 作用下， 以 N,N-二甲基甲酰胺 、 二氯甲烷 为溶剂， 反应 0.83h， 生成 3-[2-Anilino-4-(3-bromophenyl)pyrimidin-5-yl]oxybenzamide
  参考文献：
  名称：

  Solid phase synthesis of a molecular library of pyrimidines, pyrazoles, and isoxazoles with biological potential

  摘要：

  A small molecular library of 40 Pyrimidine, pyrazole, and isoxazole derivatives, bearing structural features for a promising binding of therapeutically interesting enzymes, was designed and prepared. An efficient and straightforward solid phase synthesis was envisaged and carried out on a Rink amide resin. The assistance Of Microwave heating in any step reduced the reaction time, increased the reaction yields, and allowed an easy work-up and purification of the targeted compounds. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2010.01.089

文献信息

• Solid phase synthesis of a molecular library of pyrimidines, pyrazoles, and isoxazoles with biological potential
  作者：Giovanni Pellegrino、Francesco Leonetti、Angelo Carotti、Orazio Nicolotti、Leonardo Pisani、Angela Stefanachi、Marco Catto

  DOI：10.1016/j.tetlet.2010.01.089

  日期：2010.3

  A small molecular library of 40 Pyrimidine, pyrazole, and isoxazole derivatives, bearing structural features for a promising binding of therapeutically interesting enzymes, was designed and prepared. An efficient and straightforward solid phase synthesis was envisaged and carried out on a Rink amide resin. The assistance Of Microwave heating in any step reduced the reaction time, increased the reaction yields, and allowed an easy work-up and purification of the targeted compounds. (C) 2010 Elsevier Ltd. All rights reserved.