5-Methoxy-2-methyl-pyrimidine-4-carboxylic acid (6-carbamoyl-2-hydroxy-3-methyl-phenyl)-amide | 171010-53-0

• 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: 5-Methoxy-2-methyl-pyrimidine-4-carboxylic acid (6-carbamoyl-2-hydroxy-3-methyl-phenyl)-amide
• 英文别名: N-(6-carbamoyl-2-hydroxy-3-methylphenyl)-5-methoxy-2-methylpyrimidine-4-carboxamide
• CAS: 171010-53-0
• 化学式: C₁₅H₁₆N₄O₄
• 分子量: 316.316
• InChiKey: DPKLIGFIRVTXNP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  127
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  5-Methoxy-2-methyl-pyrimidine-4-carboxylic acid (6-carbamoyl-2-hydroxy-3-methyl-phenyl)-amide 在 PPA 、 Polyphosphoric acid (PPA) 作用下， 反应 3.0h， 以51%的产率得到2-(5-Methoxy-2-methyl-pyrimidin-4-yl)-7-methyl-benzooxazole-4-carboxylic acid amide
  参考文献：
  名称：

  Synthesis of Boxazomycin B and related analogs

  摘要：

  The total synthesis of the novel antibacterial agent Boxazomycin B is reported. The synthesis proceeds through a highly functionalized benzene ring in which the key functionalities are introduced early in the synthesis and serve as protecting groups for additional transformations.

  DOI：

  10.1016/0040-4039(95)01533-n
• 作为产物：
  描述：

  2-甲基-5-甲氧基嘧啶-4-羧酸 、 2-Amino-3-hydroxy-4-methyl-benzamide 在 N,N'-羰基二咪唑 作用下， 以 四氢呋喃 为溶剂， 以85%的产率得到5-Methoxy-2-methyl-pyrimidine-4-carboxylic acid (6-carbamoyl-2-hydroxy-3-methyl-phenyl)-amide
  参考文献：
  名称：

  Synthesis of Boxazomycin B and related analogs

  摘要：

  The total synthesis of the novel antibacterial agent Boxazomycin B is reported. The synthesis proceeds through a highly functionalized benzene ring in which the key functionalities are introduced early in the synthesis and serve as protecting groups for additional transformations.

  DOI：

  10.1016/0040-4039(95)01533-n