1-(4-fluorophenyl)-2-(4-methylsulfinyl-phenyl)-ethanone | 36187-64-1

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: 1-(4-fluorophenyl)-2-(4-methylsulfinyl-phenyl)-ethanone
• 英文别名: 1-(4-fluorophenyl)-2-(4-methylsulfinyl-phenyl)ethanone；1-(4-Fluorophenyl)-2-[4-(methanesulfinyl)phenyl]ethan-1-one；1-(4-fluorophenyl)-2-(4-methylsulfinylphenyl)ethanone
• CAS: 36187-64-1
• 化学式: C₁₅H₁₃FO₂S
• 分子量: 276.331
• InChiKey: WDXBFDXOFHJXFT-UHFFFAOYSA-N

物化性质

• 沸点：
  460.7±30.0 °C(Predicted)
• 密度：
  1.30±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  19
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  53.4
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-(4-fluorophenyl)-2-(4-methylsulfinyl-phenyl)-ethanone 在 溴 作用下， 以 四氯化碳 为溶剂， 生成 2-bromo-1-(4-fluoro-phenyl)-2-(4-methanesulfinyl-phenyl)-ethanone
  参考文献：
  名称：

  1,2-Diaryl-1-ethanone and pyrazolo [4,3-c] quinoline-4-one as novel selective cyclooxygenase-2 inhibitors

  摘要：

  Novel 1,2-diaryl-1-ethanone I and pyrazolo [4,3-c] quinoline-4-one 2, with pharmacophores different from the known COX inhibitors were identified as selective COX-2 inhibitors. The communication briefly describes SAR of both the series. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2003.10.052
• 作为产物：
  描述：

  氟苯 、 (4-Methanesulfinyl-phenyl)-acetyl chloride 在 三氯化铝 作用下， 以 二氯甲烷 为溶剂， 生成 1-(4-fluorophenyl)-2-(4-methylsulfinyl-phenyl)-ethanone
  参考文献：
  名称：

  1,2-Diaryl-1-ethanone and pyrazolo [4,3-c] quinoline-4-one as novel selective cyclooxygenase-2 inhibitors

  摘要：

  Novel 1,2-diaryl-1-ethanone I and pyrazolo [4,3-c] quinoline-4-one 2, with pharmacophores different from the known COX inhibitors were identified as selective COX-2 inhibitors. The communication briefly describes SAR of both the series. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2003.10.052

文献信息

• Process for the preparation of organic compounds containing a sulfinyl or sulfonyl group
  申请人：DINAMITE DIPHARMA S.P.A. abbreviated DIPHARMA S.P.A.

  公开号：US20040192929A1

  公开（公告）日：2004-09-30

  A process for the oxidation of thioethers to sulfoxides or sulfones or for the oxidation of sulfoxides to sulfones by treatment of thioethers or sulfoxides with an oxidizing amount of &egr;-phthalimidoperhexanoic acid is particularly useful for the preparation of compounds of industrial interest, in particular pharmaceuticals for human or veterinary use.

  一种将硫醚氧化为亚砜或砜，或将亚砜氧化为砜的过程，通过用适量的ε-邻苯二甲酰亚丙基己酸处理硫醚或亚砜，特别适用于制备工业感兴趣的化合物，特别是用于人类或兽医用途的药物。
• Process for the preparation of organic compounds containing a sulfinyl or sulfonyl group in the presence of epsilon-phthalimidoperhexanoic acid
  申请人：Dipharma Francis S.r.l.

  公开号：EP1466897B1

  公开（公告）日：2008-12-17
• US6998490B2
  申请人：——

  公开号：US6998490B2

  公开（公告）日：2006-02-14
• 1,2-Diaryl-1-ethanone and pyrazolo [4,3-c] quinoline-4-one as novel selective cyclooxygenase-2 inhibitors
  作者：Bipul Baruah、Kavitha Dasu、Balasubramanian Vaitilingam、Akhila Vanguri、Seshagiri Rao Casturi、Koteswar Rao Yeleswarapu

  DOI：10.1016/j.bmcl.2003.10.052

  日期：2004.1

  Novel 1,2-diaryl-1-ethanone I and pyrazolo [4,3-c] quinoline-4-one 2, with pharmacophores different from the known COX inhibitors were identified as selective COX-2 inhibitors. The communication briefly describes SAR of both the series. (C) 2003 Elsevier Ltd. All rights reserved.