2-(2-methylpropyl)-3,5-dimethoxyphenol | 870681-70-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 2-(2-methylpropyl)-3,5-dimethoxyphenol
• 英文别名: 3,5-Dimethoxy-2-(2-methylpropyl)phenol
• CAS: 870681-70-2
• 化学式: C₁₂H₁₈O₃
• 分子量: 210.273
• InChiKey: BYPNAACUIZNJHW-UHFFFAOYSA-N

物化性质

• 沸点：
  327.4±37.0 °C(Predicted)
• 密度：
  1.040±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  38.7
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-(2-methylpropyl)-3,5-dimethoxyphenol 在 三氟化硼乙醚 、 三溴化硼 作用下， 以 二氯甲烷 为溶剂， 反应 30.0h， 生成 5,7-Dihydroxy-4-(4-hydroxy-phenyl)-8-isobutyl-chroman-2-one
  参考文献：
  名称：

  Regioselective synthesis and estrogenicity of (±)-8-alkyl-5,7-dihydroxy-4-(4-hydroxyphenyl)-3,4-dihydrocoumarins

  摘要：

  Nine new (+/-)-8-alkyl-5,7-dihydroxy-4-(4-hydroxyphenyl)-3,4-dihydrocoumarins have been synthesized from 2,4,6-trimethoxybenzaldehyde via a short, efficient, and regioselective pathway, together with the unsubstituted analogue (+/-)-5,7-dihydroxy-4-(4-hydroxyphenyl)-3,4-dihydrocoumarin. The compounds were tested for estrogenic activity using a yeast-based estrogen screen. Weak estrogenicity was determined for seven members of the series. (c) 2005 Elsevier SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2005.04.010
• 作为产物：
  描述：

  2,4,6-三甲氧基苯甲醛 在 三乙基硅烷 、 三溴化硼 、 三氟乙酸 作用下， 以 乙醚 、 二氯甲烷 为溶剂， 反应 3.0h， 生成 2-(2-methylpropyl)-3,5-dimethoxyphenol
  参考文献：
  名称：

  Regioselective synthesis and estrogenicity of (±)-8-alkyl-5,7-dihydroxy-4-(4-hydroxyphenyl)-3,4-dihydrocoumarins

  摘要：

  Nine new (+/-)-8-alkyl-5,7-dihydroxy-4-(4-hydroxyphenyl)-3,4-dihydrocoumarins have been synthesized from 2,4,6-trimethoxybenzaldehyde via a short, efficient, and regioselective pathway, together with the unsubstituted analogue (+/-)-5,7-dihydroxy-4-(4-hydroxyphenyl)-3,4-dihydrocoumarin. The compounds were tested for estrogenic activity using a yeast-based estrogen screen. Weak estrogenicity was determined for seven members of the series. (c) 2005 Elsevier SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2005.04.010

文献信息

• Regioselective synthesis and estrogenicity of (±)-8-alkyl-5,7-dihydroxy-4-(4-hydroxyphenyl)-3,4-dihydrocoumarins
  作者：Frederik Roelens、Kevin Huvaere、Willem Dhooge、Marjan Van Cleemput、Frank Comhaire、Denis De Keukeleire

  DOI：10.1016/j.ejmech.2005.04.010

  日期：2005.10

  Nine new (+/-)-8-alkyl-5,7-dihydroxy-4-(4-hydroxyphenyl)-3,4-dihydrocoumarins have been synthesized from 2,4,6-trimethoxybenzaldehyde via a short, efficient, and regioselective pathway, together with the unsubstituted analogue (+/-)-5,7-dihydroxy-4-(4-hydroxyphenyl)-3,4-dihydrocoumarin. The compounds were tested for estrogenic activity using a yeast-based estrogen screen. Weak estrogenicity was determined for seven members of the series. (c) 2005 Elsevier SAS. All rights reserved.