8-methyl-1-(4-methylsulfanylphenyl)-2,3a,4,5-tetrahydronaphtho[2,1-b]furan-2-one | 562069-23-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 萘并呋喃类
• 英文名称: 8-methyl-1-(4-methylsulfanylphenyl)-2,3a,4,5-tetrahydronaphtho[2,1-b]furan-2-one
• 英文别名: 8-Methyl-1-(4-methylsulfanyl-phenyl)-4,5-dihydro-3aH-naphtho[2,1-b]furan-2-one；8-methyl-1-(4-methylsulfanylphenyl)-4,5-dihydro-3aH-benzo[e][1]benzofuran-2-one
• CAS: 562069-23-2
• 化学式: C₂₀H₁₈O₂S
• 分子量: 322.428
• InChiKey: OWTJGJSVFUHHML-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  23
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  51.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  8-methyl-1-(4-methylsulfanylphenyl)-2,3a,4,5-tetrahydronaphtho[2,1-b]furan-2-one 在 Oxone 作用下， 以 水 、 丙酮 为溶剂， 反应 0.5h， 生成 1-(4-Methanesulfonyl-phenyl)-8-methyl-4,5-dihydro-3aH-naphtho[2,1-b]furan-2-one
  参考文献：
  名称：

  Conformationally restricted 3,4-diarylfuranones (2,3a,4,5-tetrahydronaphthofuranones) as selective cyclooxygenase-2 inhibitors

  摘要：

  A number of naphthofuranones were synthesized and tested for COX-1 and COX-2 inhibition. Few of them were identified as selective COX-2 inhibitors. Structure-activity relationship studies within the series are discussed. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00282-8
• 作为产物：
  描述：

  2-bromo-7-methyl-1,2,3,4-tetrahydronapthalin-1-one 在 氢氧化钾 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 反应 2.0h， 生成 8-methyl-1-(4-methylsulfanylphenyl)-2,3a,4,5-tetrahydronaphtho[2,1-b]furan-2-one
  参考文献：
  名称：

  Conformationally restricted 3,4-diarylfuranones (2,3a,4,5-tetrahydronaphthofuranones) as selective cyclooxygenase-2 inhibitors

  摘要：

  A number of naphthofuranones were synthesized and tested for COX-1 and COX-2 inhibition. Few of them were identified as selective COX-2 inhibitors. Structure-activity relationship studies within the series are discussed. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00282-8

文献信息

• Conformationally restricted 3,4-diarylfuranones (2,3a,4,5-tetrahydronaphthofuranones) as selective cyclooxygenase-2 inhibitors
  作者：Manojit Pal、Venugopal Rao Veeramaneni、Murali Nagabelli、Srinivas Rao Kalleda、Parimal Misra、Seshagiri Rao Casturi、Koteswar Rao Yeleswarapu

  DOI：10.1016/s0960-894x(03)00282-8

  日期：2003.5

  A number of naphthofuranones were synthesized and tested for COX-1 and COX-2 inhibition. Few of them were identified as selective COX-2 inhibitors. Structure-activity relationship studies within the series are discussed. (C) 2003 Elsevier Science Ltd. All rights reserved.
• Pal, Manojit; Veeramaneni, Venugopal Rao; Padakanti, Srinivas, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2003, vol. 42, # 3, p. 593 - 601
  作者：Pal, Manojit、Veeramaneni, Venugopal Rao、Padakanti, Srinivas、Nagabelli, Murali、Vanguri, Akhila、Mamnoor, Premkumar、Casturi, Seshagiri Rao、Misra, Parimal、Mullangi, Ramesh、Yeleswarapu, Koteswar Rao

  DOI：——

  日期：——