Trifluoro-methanesulfonic acid 9-methyl-3-oxo-2,3-dihydro-benzo[de]chromen-6-yl ester | 873425-80-0

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: Trifluoro-methanesulfonic acid 9-methyl-3-oxo-2,3-dihydro-benzo[de]chromen-6-yl ester
• CAS: 873425-80-0
• 化学式: C₁₄H₉F₃O₅S
• 分子量: 346.284
• InChiKey: RKFPXQUUWYHIPZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.95
• 重原子数：
  23.0
• 可旋转键数：
  2.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  69.67
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  Trifluoro-methanesulfonic acid 9-methyl-3-oxo-2,3-dihydro-benzo[de]chromen-6-yl ester 在 四(三苯基膦)钯 、 2,6-二叔丁基-4-甲基吡啶 、 lithium chloride 作用下， 以 乙醚 、 N,N-二甲基甲酰胺 为溶剂， 生成 4,12-Dimethyl-8-prop-2-enyl-2-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-4-ol
  参考文献：
  名称：

  The structure–activity relationships of mansonone F, a potent anti-MRSA sesquiterpenoid quinone: SAR studies on the C6 and C9 analogs

  摘要：

  For the systematic SAR study on mansonone F, a series of C6 and C9 analogs of mansonone F have been synthesized and their anti-MRSA activities were evaluated. Most of the analogs exhibited good or excellent anti-MRSA activities. In particular, the 6-n-butylmansonone F showed fourfold higher antibacterial activities compared to that of vancomycin. (c) 2005 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2005.09.024
• 作为产物：
  描述：

  5-((tert-butyldimethylsilyl)oxy)naphthalen-1-ol 在 palladium on activated charcoal 吡啶 、 四丁基氟化铵 、 氢气 、 氯化二乙基铝 、 三溴化硼 、 sodium hydride 作用下， 以 四氢呋喃 、 甲醇 、 二氯甲烷 为溶剂， 生成 Trifluoro-methanesulfonic acid 9-methyl-3-oxo-2,3-dihydro-benzo[de]chromen-6-yl ester
  参考文献：
  名称：

  The structure–activity relationships of mansonone F, a potent anti-MRSA sesquiterpenoid quinone: SAR studies on the C6 and C9 analogs

  摘要：

  For the systematic SAR study on mansonone F, a series of C6 and C9 analogs of mansonone F have been synthesized and their anti-MRSA activities were evaluated. Most of the analogs exhibited good or excellent anti-MRSA activities. In particular, the 6-n-butylmansonone F showed fourfold higher antibacterial activities compared to that of vancomycin. (c) 2005 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2005.09.024