2-(3-Fluoro-phenoxy)-1-p-tolyl-ethanone | 152862-72-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-(3-Fluoro-phenoxy)-1-p-tolyl-ethanone
• 英文别名: 2-(3-Fluorophenoxy)-1-(4-methylphenyl)ethanone
• CAS: 152862-72-1
• 化学式: C₁₅H₁₃FO₂
• mdl: MFCD12645322
• 分子量: 244.265
• InChiKey: NVVGKJSIDCJYSR-UHFFFAOYSA-N

物化性质

• 沸点：
  373.1±27.0 °C(predicted)
• 密度：
  1.164±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.133
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-(3-Fluoro-phenoxy)-1-p-tolyl-ethanone 在 N-溴代丁二酰亚胺(NBS) 、 PPA 、 Polyphosphoric acid (PPA) 、 偶氮二异丁腈 作用下， 反应 12.0h， 生成 2-(4-Bromomethyl-phenyl)-6-fluoro-benzofuran
  参考文献：
  名称：

  Synthesis and calcium antagonistic activity of a series of diethyl benzofuryl, benzothienyl and benzogammapyronyl benzylphosphonates

  摘要：

  In this work we present about 15 original heterocyclic diethyl benzylphosphonate analogues of fostedil, in which we have varied the nature of the heterocycle, the substituents or the phosphonic group, or even the position of this latter. Three diethyl 4-(2-benzofuryl) benzyl phosphonates exhibited slightly higher calcium antagonism than the control. Solely substitution with a fluorine atom was able to maintain activity, whereas the other modifications always decreased it.

  DOI：

  10.1016/0223-5234(93)90084-r
• 作为产物：
  描述：

  3-氟苯酚 、 2-溴-4'-甲基苯乙酮 在 potassium carbonate 作用下， 以 丁酮 为溶剂， 反应 3.0h， 以80%的产率得到2-(3-Fluoro-phenoxy)-1-p-tolyl-ethanone
  参考文献：
  名称：

  Synthesis and calcium antagonistic activity of a series of diethyl benzofuryl, benzothienyl and benzogammapyronyl benzylphosphonates

  摘要：

  In this work we present about 15 original heterocyclic diethyl benzylphosphonate analogues of fostedil, in which we have varied the nature of the heterocycle, the substituents or the phosphonic group, or even the position of this latter. Three diethyl 4-(2-benzofuryl) benzyl phosphonates exhibited slightly higher calcium antagonism than the control. Solely substitution with a fluorine atom was able to maintain activity, whereas the other modifications always decreased it.

  DOI：

  10.1016/0223-5234(93)90084-r

文献信息

• Synthesis and calcium antagonistic activity of a series of diethyl benzofuryl, benzothienyl and benzogammapyronyl benzylphosphonates
  作者：G Baziard-Mouysset、GW Tchani、JL Stigliani、M Payard、R Bonnafous、J Tisne-Versailles

  DOI：10.1016/0223-5234(93)90084-r

  日期：1993.1

  In this work we present about 15 original heterocyclic diethyl benzylphosphonate analogues of fostedil, in which we have varied the nature of the heterocycle, the substituents or the phosphonic group, or even the position of this latter. Three diethyl 4-(2-benzofuryl) benzyl phosphonates exhibited slightly higher calcium antagonism than the control. Solely substitution with a fluorine atom was able to maintain activity, whereas the other modifications always decreased it.