2-(4-bromophenyl)-6-ethylpyrimidin-4-one | 764648-47-7

• 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: 2-(4-bromophenyl)-6-ethylpyrimidin-4-one
• 英文别名: 2-(4-bromophenyl)-4-ethyl-1H-pyrimidin-6-one
• CAS: 764648-47-7
• 化学式: C₁₂H₁₁BrN₂O
• mdl: MFCD12137519
• 分子量: 279.136
• InChiKey: BOGTWCANWLLBAW-UHFFFAOYSA-N

物化性质

• 沸点：
  368.5±44.0 °C(Predicted)
• 密度：
  1.49±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.166
• 拓扑面积：
  41.5
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-(4-bromophenyl)-6-ethylpyrimidin-4-one 在 三氯氧磷 、 sodium hydroxide 作用下， 以 水 为溶剂， 以93%的产率得到2-(4-bromophenyl)-4-chloro-6-ethylpyrimidine
  参考文献：
  名称：

  Synthesis and structure–activity relationship of 4-amino-2-phenylpyrimidine derivatives as a series of novel GPR119 agonists

  摘要：

  Through preparation and examination of a series of novel 4-amino-2-phenylpyrimidine derivatives as agonists for GPR119, we identified 2-(4-bromophenyl)-6-methyl-N-[2-(1-oxidopyridin-3-yl)ethyl]pyrimidin-4-amine (9t). Compound 9t improved glucose tolerance in mice following oral administration and showed good pharmacokinetic profiles in rats. Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmc.2012.02.006
• 作为产物：
  描述：

  4-溴苯腈 在 盐酸 、 sodium methylate 作用下， 以 甲醇 、 乙醇 、 氯仿 为溶剂， 反应 20.0h， 生成 2-(4-bromophenyl)-6-ethylpyrimidin-4-one
  参考文献：
  名称：

  Synthesis and structure–activity relationship of 4-amino-2-phenylpyrimidine derivatives as a series of novel GPR119 agonists

  摘要：

  Through preparation and examination of a series of novel 4-amino-2-phenylpyrimidine derivatives as agonists for GPR119, we identified 2-(4-bromophenyl)-6-methyl-N-[2-(1-oxidopyridin-3-yl)ethyl]pyrimidin-4-amine (9t). Compound 9t improved glucose tolerance in mice following oral administration and showed good pharmacokinetic profiles in rats. Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmc.2012.02.006

文献信息

• Synthesis and structure–activity relationship of 4-amino-2-phenylpyrimidine derivatives as a series of novel GPR119 agonists
  作者：Kenji Negoro、Yasuhiro Yonetoku、Tatsuya Maruyama、Shigeru Yoshida、Makoto Takeuchi、Mitsuaki Ohta

  DOI：10.1016/j.bmc.2012.02.006

  日期：2012.4

  Through preparation and examination of a series of novel 4-amino-2-phenylpyrimidine derivatives as agonists for GPR119, we identified 2-(4-bromophenyl)-6-methyl-N-[2-(1-oxidopyridin-3-yl)ethyl]pyrimidin-4-amine (9t). Compound 9t improved glucose tolerance in mice following oral administration and showed good pharmacokinetic profiles in rats. Published by Elsevier Ltd.