1-[4-(Methanesulfinyl)phenyl]-2-phenylethan-1-one | 61239-68-7

• 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-(Methanesulfinyl)phenyl]-2-phenylethan-1-one
• 英文别名: 1-(4-methylsulfinylphenyl)-2-phenylethanone
• CAS: 61239-68-7
• 化学式: C₁₅H₁₄O₂S
• 分子量: 258.341
• InChiKey: RMOQUWYMHDZICP-UHFFFAOYSA-N

物化性质

• 沸点：
  462.9±28.0 °C(Predicted)
• 密度：
  1.25±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  53.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-[4-(Methanesulfinyl)phenyl]-2-phenylethan-1-one 在 溴 作用下， 以 四氯化碳 、 乙醇 为溶剂， 生成 1-(4-Methylsulfinylphenyl)-2-phenyl-2-(1,3-thiazol-2-ylamino)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：

  甲基苯基亚砜 、 苯乙酰氯 在 三氯化铝 作用下， 以 二氯甲烷 为溶剂， 生成 1-[4-(Methanesulfinyl)phenyl]-2-phenylethan-1-one
  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

• US4060631A
  申请人：——

  公开号：US4060631A

  公开（公告）日：1977-11-29
• 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.