2-(4-bromophenyl)-4-chloro-6-methylpyrimidine | 97513-47-8

• 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-methylpyrimidine
• CAS: 97513-47-8
• 化学式: C₁₁H₈BrClN₂
• 分子量: 283.555
• InChiKey: JYINNANZBDTRTB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.09
• 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-methylpyrimidine 在 间氯过氧苯甲酸 作用下， 以 氯仿 、 乙腈 为溶剂， 生成 AS1535907
  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， 反应 2.17h， 生成 2-(4-bromophenyl)-4-chloro-6-methylpyrimidine
  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