3-Isopropyl-6,9-dimethyl-2,3-dihydro-benzo[de]chromen-3-ol | 764713-85-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 3-Isopropyl-6,9-dimethyl-2,3-dihydro-benzo[de]chromen-3-ol
• 英文别名: 8,12-Dimethyl-4-propan-2-yl-2-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-4-ol；8,12-dimethyl-4-propan-2-yl-2-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaen-4-ol
• CAS: 764713-85-1
• 化学式: C₁₇H₂₀O₂
• 分子量: 256.345
• InChiKey: OUEQSHGEHCAILQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 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：

  3-Isopropyl-6,9-dimethyl-2,3-dihydro-benzo[de]chromen-3-ol 在 乙酸酐 、 copper(II) nitrate 作用下， 生成 3-Isopropyl-6,9-dimethyl-7-nitro-2,3-dihydro-benzo[de]chromen-3-ol
  参考文献：
  名称：

  Syntheses and anti-MRSA activities of the C3 analogs of mansonone F, a potent anti-bacterial sesquiterpenoid: insights into its structural requirements for anti-MRSA activity

  摘要：

  Syntheses and excellent anti-MRSA activities of the mansonone F analogs are reported. In addition, the minimal structural requirements for its anti-MRSA activities as well as its structure-activity relationship including the C3 substituents effects on anti-MRSA activity are also described. In particular, this study revealed that both ortho-quinone and tricyclic systems of mansonone F are essential for anti-MRSA activities. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.06.039
• 作为产物：
  描述：

  异丙基溴化镁 、 6,9-dimethylnaphtho<1,8-bc>pyran-3(2H)-one 以 乙醚 为溶剂， 生成 3-Isopropyl-6,9-dimethyl-2,3-dihydro-benzo[de]chromen-3-ol
  参考文献：
  名称：

  Syntheses and anti-MRSA activities of the C3 analogs of mansonone F, a potent anti-bacterial sesquiterpenoid: insights into its structural requirements for anti-MRSA activity

  摘要：

  Syntheses and excellent anti-MRSA activities of the mansonone F analogs are reported. In addition, the minimal structural requirements for its anti-MRSA activities as well as its structure-activity relationship including the C3 substituents effects on anti-MRSA activity are also described. In particular, this study revealed that both ortho-quinone and tricyclic systems of mansonone F are essential for anti-MRSA activities. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.06.039