4-[[4-Benzoyloxy-6-[(4-phenoxycarbonylbenzoyl)amino]pyrimidin-2-yl]carbamoyl]benzoic acid | 1242433-50-6

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 缩酚酸和缩酚酸环醚类
• 英文名称: 4-[[4-Benzoyloxy-6-[(4-phenoxycarbonylbenzoyl)amino]pyrimidin-2-yl]carbamoyl]benzoic acid
• 英文别名: 4-[[4-benzoyloxy-6-[(4-phenoxycarbonylbenzoyl)amino]pyrimidin-2-yl]carbamoyl]benzoic acid
• CAS: 1242433-50-6
• 化学式: C₃₃H₂₂N₄O₈
• 分子量: 602.56
• InChiKey: AJHXBGIRMGCYHI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  45
• 可旋转键数：
  11
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  174
• 氢给体数：
  3
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  、 苯酚 在 三乙胺 作用下， 以 N,N-二甲基乙酰胺 、 水 为溶剂， 反应 24.5h， 生成 4-[[4-Benzoyloxy-6-[(4-phenoxycarbonylbenzoyl)amino]pyrimidin-2-yl]carbamoyl]benzoic acid 、 4-((6-(benzoyloxy)-2-(4-(phenoxycarbonyl)benzamido)pyrimidin-4-yl)carbamoyl)benzoic acid
  参考文献：
  名称：

  Pyrimidine based carboxylic acid terminated aromatic and semiaromatic hyperbranched polyamide-esters: synthesis and characterization

  摘要：

  Carboxylic acid terminated aromatic and semiaromatic hyperbranched polyamide-esters (HBPAEs) containing pyrimidine moieties were prepared by polycondensation of 4-hydroxy-2,6-diaminopyrimidine (CBB') to a double molar ratio of various diacid chlorides (A(2)) without any catalyst. The products were soluble in organic solvents, such as N,N-dimethylformamide. N-methyl-2-pyrrolidone and displayed glass transition temperature (T(g)) between 180 and 244 degrees C. The polymerization products have been investigated with FTIR, (1)H and (13)C NMR analyses and the degree of branching was higher than 60%. Amorphous polymers had inherent viscosity (eta(inh)) ranging between 0.21-0.28 dL/g and had excellent thermal stability with 10% weight loss at 346-508 degrees C. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2010.06.065

文献信息

• Pyrimidine based carboxylic acid terminated aromatic and semiaromatic hyperbranched polyamide-esters: synthesis and characterization
  作者：Saima Shabbir、Sonia Zulfiqar、Zahoor Ahmad、Muhammad Ilyas Sarwar

  DOI：10.1016/j.tet.2010.06.065

  日期：2010.8

  Carboxylic acid terminated aromatic and semiaromatic hyperbranched polyamide-esters (HBPAEs) containing pyrimidine moieties were prepared by polycondensation of 4-hydroxy-2,6-diaminopyrimidine (CBB') to a double molar ratio of various diacid chlorides (A(2)) without any catalyst. The products were soluble in organic solvents, such as N,N-dimethylformamide. N-methyl-2-pyrrolidone and displayed glass transition temperature (T(g)) between 180 and 244 degrees C. The polymerization products have been investigated with FTIR, (1)H and (13)C NMR analyses and the degree of branching was higher than 60%. Amorphous polymers had inherent viscosity (eta(inh)) ranging between 0.21-0.28 dL/g and had excellent thermal stability with 10% weight loss at 346-508 degrees C. (C) 2010 Elsevier Ltd. All rights reserved.