3-(2,5-Dimethoxyphenyl)-3-phenylcyclopentan-1-one | 1381865-02-6

• 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: 3-(2,5-Dimethoxyphenyl)-3-phenylcyclopentan-1-one
• CAS: 1381865-02-6
• 化学式: C₁₉H₂₀O₃
• 分子量: 296.366
• InChiKey: RZZXAISAOSCOMH-UHFFFAOYSA-N

物化性质

• 沸点：
  458.7±45.0 °C(predicted)
• 密度：
  1.139±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-(2,5-Dimethoxyphenyl)-3-phenylcyclopentan-1-one 在 三溴化硼 、 肼 作用下， 以 二氯甲烷 为溶剂， 生成 2-(1-phenylcyclopentyl)benzene-1,4-diol
  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：

  1-phenyl-1-(2,5-dimethoxyphenyl)ethylene 在 三甲基铝 、 溶剂黄146 、 锌 作用下， 以 乙醚 、 二氯甲烷 为溶剂， 生成 3-(2,5-Dimethoxyphenyl)-3-phenylcyclopentan-1-one
  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

文献信息

• Diphenyl Substituted Cycloalkanes, Compositions Containing Such Compounds and Methods Of Use
  申请人：Armstrong Helen M.

  公开号：US20090197883A1

  公开（公告）日：2009-08-06

  The instant invention provides compounds of Formula (I) which are 5-lipoxygenase activating protein inhibitors. Compounds of Formula (I) are useful as anti-atherosclerotic, anti-asthmatic, anti-allergic, anti-inflammatory and cytoprotective agents.

  本发明提供了式（I）的化合物，它们是5-脂氧酶活化蛋白抑制剂。式（I）的化合物可用作抗动脉粥样硬化、抗哮喘、抗过敏、抗炎和细胞保护剂。