5-(4-methoxy-phenyl)-1-methyl-1H-pyrimidin-2-one | 27956-25-8

• 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-methoxy-phenyl)-1-methyl-1H-pyrimidin-2-one
• 英文别名: Pyrimidine, 1,2-dihydro-5-p-methoxyphenyl-1-methyl-2-oxo-；5-(4-methoxyphenyl)-1-methylpyrimidin-2-one
• CAS: 27956-25-8
• 化学式: C₁₂H₁₂N₂O₂
• 分子量: 216.239
• InChiKey: MPFYYACMNFMYOO-UHFFFAOYSA-N

物化性质

• 沸点：
  360.6±52.0 °C(Predicted)
• 密度：
  1.16±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  41.9
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  5-(4-methoxy-phenyl)-1-methyl-1H-pyrimidin-2-one 在 N,N-二异丙基乙胺 、 三氯氧磷 、 三氯化磷 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 1-(2,3-dihydro-benzofuran-5-yl)-2-[5-(4-methoxy-phenyl)-pyrimidin-2-yl]-2,3,4-9-tetrahydro-1H-β-carboline
  参考文献：
  名称：

  Synthesis and biological activities of novel β-Carbolines as PDE5 inhibitors

  摘要：

  A series of N-2-furoyl and N(2)pyrimidinyl beta-carbolines was discovered to possess potent inhibitors activity against PDE5. During the synthesis we developed a tandem resin quenching protocol. which allowed us to synthesize large number of target compounds in a rapid fashion. Representative Compounds exhibit superior selectivity to sildenafil versus other isozymes of PDEs. and demonstrated in vivo efficacy in increasing introcavernosal pressure in dogs. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)01036-3
• 作为产物：
  描述：

  4-甲基磺酰苄胺 、 N-甲基脲 在 对甲苯磺酸 作用下， 以 甲苯 为溶剂， 生成 5-(4-methoxy-phenyl)-1-methyl-1H-pyrimidin-2-one
  参考文献：
  名称：

  Synthesis and biological activities of novel β-Carbolines as PDE5 inhibitors

  摘要：

  A series of N-2-furoyl and N(2)pyrimidinyl beta-carbolines was discovered to possess potent inhibitors activity against PDE5. During the synthesis we developed a tandem resin quenching protocol. which allowed us to synthesize large number of target compounds in a rapid fashion. Representative Compounds exhibit superior selectivity to sildenafil versus other isozymes of PDEs. and demonstrated in vivo efficacy in increasing introcavernosal pressure in dogs. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)01036-3