methyl 2-(3,3-difluoro-1-phenylcyclobutyl)-4-hydroxybenzoate | 1381865-10-6

• 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: methyl 2-(3,3-difluoro-1-phenylcyclobutyl)-4-hydroxybenzoate
• CAS: 1381865-10-6
• 化学式: C₁₈H₁₆F₂O₃
• 分子量: 318.32
• InChiKey: UJNBOMHUQRIBOX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.89
• 重原子数：
  23.0
• 可旋转键数：
  3.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  46.53
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  2-(氯甲基)喹啉 、 methyl 2-(3,3-difluoro-1-phenylcyclobutyl)-4-hydroxybenzoate 在 potassium carbonate 、 potassium iodide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 Methyl 2-(3,3-difluoro-1-phenylcyclobutyl)-4-(quinolin-2-ylmethoxy)benzoate
  参考文献：
  名称：

  Evaluation of endo- and exo-aryl-substitutions and central scaffold modifications on diphenyl substituted alkanes as 5-lipoxygenase activating protein inhibitors

  摘要：

  A search for a suitable replacement for the central norbornyl scaffold presented in the recently disclosed novel FLAP inhibitors is herein described, as well as the SAR study performed on the endo and exo-aryl groups. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.04.064
• 作为产物：
  描述：

  methyl 4-(benzyloxy)-2-(3,3-difluoro-1-phenylcyclobutyl)benzoate 在 palladium on activated charcoal 、 氢气 作用下， 以 乙醇 为溶剂， 生成 methyl 2-(3,3-difluoro-1-phenylcyclobutyl)-4-hydroxybenzoate
  参考文献：
  名称：

  Evaluation of endo- and exo-aryl-substitutions and central scaffold modifications on diphenyl substituted alkanes as 5-lipoxygenase activating protein inhibitors

  摘要：

  A search for a suitable replacement for the central norbornyl scaffold presented in the recently disclosed novel FLAP inhibitors is herein described, as well as the SAR study performed on the endo and exo-aryl groups. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.04.064