Methyl 2-(5-butyl-2-methylnaphthalen-1-yl)oxyacetate | 873426-46-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: Methyl 2-(5-butyl-2-methylnaphthalen-1-yl)oxyacetate
• CAS: 873426-46-1
• 化学式: C₁₈H₂₂O₃
• 分子量: 286.371
• InChiKey: WAIWGSDUGUSXCW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  21
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  Methyl 2-(5-butyl-2-methylnaphthalen-1-yl)oxyacetate 在 lithium hydroxide 、 三氯化铝 、 草酰氯 、 乙酸酐 、 copper(II) nitrate 作用下， 以 四氢呋喃 、 乙醚 、 二氯甲烷 、 苯 为溶剂， 生成 8-butyl-4,12-dimethyl-10-nitro-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-Butylnaphthalen-1-ol 在 palladium on activated charcoal 盐酸 、 氢气 、 sodium hydride 、 丙酸 、 苯硼酸 作用下， 以 四氢呋喃 、 甲醇 、 苯 为溶剂， 生成 Methyl 2-(5-butyl-2-methylnaphthalen-1-yl)oxyacetate
  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