Methyl 4-hydroxy-4,8-dimethyl-10-nitro-2-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene-12-carboxylate | 873426-44-9

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: Methyl 4-hydroxy-4,8-dimethyl-10-nitro-2-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene-12-carboxylate
• CAS: 873426-44-9
• 化学式: C₁₆H₁₅NO₆
• 分子量: 317.298
• InChiKey: YUYMYZDHVBMPAU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  23
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  102
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  Methyl 4-hydroxy-4,8-dimethyl-10-nitro-2-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene-12-carboxylate 在 palladium on activated charcoal 氢气 作用下， 以 甲醇 为溶剂， 生成 Methyl 10-amino-4-hydroxy-4,8-dimethyl-2-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene-12-carboxylate
  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-甲基-1-萘酚 在 1,1'-双(二苯基膦)二茂铁 、 palladium diacetate 、 lithium hydroxide 、 N-溴代丁二酰亚胺(NBS) 、 三氯化铝 、 草酰氯 、 乙酸酐 、 sodium hydride 、 copper(II) nitrate 、 叔丁胺 、 三乙胺 作用下， 以 四氢呋喃 、 二氯甲烷 、 N,N-二甲基甲酰胺 、 苯 为溶剂， 生成 Methyl 4-hydroxy-4,8-dimethyl-10-nitro-2-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene-12-carboxylate
  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