4-(5-bromo-2-methoxyphenyl)-2-phenylpyrimidine | 1360444-95-6

• 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: 4-(5-bromo-2-methoxyphenyl)-2-phenylpyrimidine
• CAS: 1360444-95-6
• 化学式: C₁₇H₁₃BrN₂O
• 分子量: 341.207
• InChiKey: FSAHGOBYSAQGJD-UHFFFAOYSA-N

物化性质

• 沸点：
  365.3±40.0 °C(Predicted)
• 密度：
  1.383±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.58
• 重原子数：
  21.0
• 可旋转键数：
  3.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  35.01
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  4-(5-bromo-2-methoxyphenyl)-2-phenylpyrimidine 在 三氟二甲基硫醚络合物 作用下， 以 二氯甲烷 、 1,2-二氯乙烷 为溶剂， 以86%的产率得到4-bromo-2-(2-phenylpyrimidin-4-yl)phenol
  参考文献：
  名称：

  Synthesis and neurite growth evaluation of new analogues of honokiol, a neolignan with potent neurotrophic activity

  摘要：

  A versatile synthetic route is reported towards the preparation of new analogues for potent neurotrophic agent biaryl-type lignan honokiol. A focused 24-membered library of derivatives containing five different groups at 5'-position of honokiol has been prepared in fair to good overall yields. Compared to the natural product, or to analogues with a short alkyl chain in this position, these new derivatives have lost most of the neurotrophic activity. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.12.015
• 作为产物：
  描述：

  5-溴-2-甲氧基苯甲醛 在 Jones reagent 、 sodium carbonate 作用下， 以 四氢呋喃 、 丙酮 、 乙腈 为溶剂， 反应 8.5h， 生成 4-(5-bromo-2-methoxyphenyl)-2-phenylpyrimidine
  参考文献：
  名称：

  Synthesis and neurite growth evaluation of new analogues of honokiol, a neolignan with potent neurotrophic activity

  摘要：

  A versatile synthetic route is reported towards the preparation of new analogues for potent neurotrophic agent biaryl-type lignan honokiol. A focused 24-membered library of derivatives containing five different groups at 5'-position of honokiol has been prepared in fair to good overall yields. Compared to the natural product, or to analogues with a short alkyl chain in this position, these new derivatives have lost most of the neurotrophic activity. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.12.015