6-Isopropyl-3,9-dimethyl-2,3-dihydro-benzo[de]chromen-3-ol | 873426-29-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 6-Isopropyl-3,9-dimethyl-2,3-dihydro-benzo[de]chromen-3-ol
• 英文别名: 4,12-Dimethyl-8-propan-2-yl-2-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-4-ol
• CAS: 873426-29-0
• 化学式: C₁₇H₂₀O₂
• 分子量: 256.345
• InChiKey: XVZAPFLAVCAJKE-UHFFFAOYSA-N

物化性质

• 沸点：
  414.0±24.0 °C(Predicted)
• 密度：
  1.137±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  19
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  29.5
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  6-Isopropyl-3,9-dimethyl-2,3-dihydro-benzo[de]chromen-3-ol 在 乙酸酐 、 copper(II) nitrate 作用下， 生成 4,12-Dimethyl-10-nitro-8-propan-2-yl-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：

  在 palladium on activated charcoal 吡啶 、 1,1'-双(二苯基膦)二茂铁 、 palladium diacetate 、 四丁基氟化铵 、 氢气 、 三溴化硼 、 sodium hydride 作用下， 以 四氢呋喃 、 甲醇 、 乙醚 、 二氯甲烷 、 甲苯 为溶剂， 生成 6-Isopropyl-3,9-dimethyl-2,3-dihydro-benzo[de]chromen-3-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