2-(4-bromophenyl)-4-chloro-6-ethylpyrimidine | 764648-56-8

• 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: 2-(4-bromophenyl)-4-chloro-6-ethylpyrimidine
• CAS: 764648-56-8
• 化学式: C₁₂H₁₀BrClN₂
• 分子量: 297.582
• InChiKey: SVQYMFOGBJLCBH-UHFFFAOYSA-N

物化性质

• 沸点：
  289.8±32.0 °C(Predicted)
• 密度：
  1.472±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 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：
  25.8
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-(4-bromophenyl)-4-chloro-6-ethylpyrimidine 、 C.I.酸性橙108 在 sodium hydroxide 作用下， 以 乙腈 、 水 为溶剂， 以94%的产率得到2-{[2-(4-bromophenyl)-6-ethylpyrimidin-4-yl]amino}ethanol
  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-溴苯甲脒盐酸盐水合物 在 sodium methylate 、 三氯氧磷 作用下， 以 甲醇 为溶剂， 生成 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

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.