8-Hexyl-12-methyl-2-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-4-one | 873426-06-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 8-Hexyl-12-methyl-2-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-4-one
• 英文别名: 8-hexyl-12-methyl-2-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-4-one
• CAS: 873426-06-3
• 化学式: C₁₉H₂₂O₂
• 分子量: 282.382
• InChiKey: XARWJNNKHIPQKE-UHFFFAOYSA-N

物化性质

• 沸点：
  444.0±45.0 °C(Predicted)
• 密度：
  1.106±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.1
• 重原子数：
  21
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  8-Hexyl-12-methyl-2-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-4-one 在 palladium on activated charcoal 氢气 、 乙酸酐 、 copper(II) nitrate 作用下， 以 甲醇 、 乙醚 为溶剂， 生成
  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-甲氧基-3,4-二氢-2H-1-萘酮 在 palladium on activated charcoal 盐酸 、 lithium hydroxide 、 palladium on activated charcoal 、 三氯化铝 、 cerium(III) chloride 、 草酰氯 、 氢气 、 三溴化硼 、 sodium hydride 、 丙酸 、 苯硼酸 作用下， 以 四氢呋喃 、 甲醇 、 乙醚 、 三甘醇二甲醚 、 二氯甲烷 、 苯 为溶剂， 生成 8-Hexyl-12-methyl-2-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-4-one
  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

文献信息

• The structure–activity relationships of mansonone F, a potent anti-MRSA sesquiterpenoid quinone: SAR studies on the C6 and C9 analogs
  作者：Young-Ger Suh、Sun Nam Kim、Dong-Yun Shin、Soon-Sil Hyun、Do-Sang Lee、Kyung-Hoon Min、Sae Mi Han、Funan Li、Eung-Chil Choi、Seong-Hak Choi

  DOI：10.1016/j.bmcl.2005.09.024

  日期：2006.1

  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.