4-bromomethylphenyl-3-fluoro-4-hydroxyphenylmethanone | 1608502-21-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-bromomethylphenyl-3-fluoro-4-hydroxyphenylmethanone
• CAS: 1608502-21-1
• 化学式: C₁₄H₁₀BrFO₂
• 分子量: 309.135
• InChiKey: FWODFZVFYCUTGB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.66
• 重原子数：
  18.0
• 可旋转键数：
  3.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  37.3
• 氢给体数：
  1.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  N-甲基哌嗪 、 4-bromomethylphenyl-3-fluoro-4-hydroxyphenylmethanone 在 三乙胺 作用下， 以 甲苯 为溶剂， 以74%的产率得到3-fluoro-4-hydroxyphenyl-4-(4-methylpiperazin-1-ylmethyl)phenylmethanone
  参考文献：
  名称：

  Fluorinated benzophenone derivatives: Balanced multipotent agents for Alzheimer's disease

  摘要：

  In an effort to develop multipotent agents against beta-secretase (BACE-1) and acetylcholinesterase (AChE), able to counteract intracellular ROS formation as well, the structure of the fluorinated benzophenone 3 served as starting point for the synthesis of a small library of 3-fluoro-4-hydroxy- analogues. Among the series, derivatives 5 and 12, carrying chemically different amino functions, showed a balanced micromolar potency against the selected targets. In particular, compound 12, completely devoid of toxic effects, seems to be a promising lead for obtaining effective anti-AD drug candidates. (C) 2014 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2014.03.042
• 作为产物：
  描述：

  (4-(bromomethyl)phenyl)-(3-fluoro-4-methoxyphenyl)methanone 在 三溴化硼 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 以92%的产率得到4-bromomethylphenyl-3-fluoro-4-hydroxyphenylmethanone
  参考文献：
  名称：

  Fluorinated benzophenone derivatives: Balanced multipotent agents for Alzheimer's disease

  摘要：

  In an effort to develop multipotent agents against beta-secretase (BACE-1) and acetylcholinesterase (AChE), able to counteract intracellular ROS formation as well, the structure of the fluorinated benzophenone 3 served as starting point for the synthesis of a small library of 3-fluoro-4-hydroxy- analogues. Among the series, derivatives 5 and 12, carrying chemically different amino functions, showed a balanced micromolar potency against the selected targets. In particular, compound 12, completely devoid of toxic effects, seems to be a promising lead for obtaining effective anti-AD drug candidates. (C) 2014 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2014.03.042