5-(3-bromo-4-hydroxy-3-methylphenyl)-2-methylpentane-2,3-diol | 642470-62-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 5-(3-bromo-4-hydroxy-3-methylphenyl)-2-methylpentane-2,3-diol
• 英文别名: 5-(3-Bromo-4-hydroxy-5-methylphenyl)-2-methylpentane-2,3-diol
• CAS: 642470-62-0
• 化学式: C₁₃H₁₉BrO₃
• 分子量: 303.196
• InChiKey: YIBZGBXJHCOLFN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  60.7
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  5-(3-bromo-4-hydroxy-3-methylphenyl)-2-methylpentane-2,3-diol 在 [双(三氟乙酰氧基)碘]苯 作用下， 以 乙腈 为溶剂， 反应 0.25h， 以69%的产率得到7-Bromo-2-(1-hydroxy-1-methyl-ethyl)-9-methyl-1-oxa-spiro[4.5]deca-6,9-dien-8-one
  参考文献：
  名称：

  Plant-growth inhibitory activity of heliannuol derivatives

  摘要：

  In addition to (+)-, (-)- and (+/-)-heliannuol E, growth-inhibitory activities of five synthetic chromans and four tetrahydrobenzo[b]oxepins were examined against oat and cress. All heliannuol E isomers exhibited similar biological activities against cress, whereas when tested against oat roots, the unnatural optical isomer (+) showed no inhibitory activity. Four brominated chromans and two tetrahydrobenzo[b]oxepin derivatives also showed apparent inhibition against both cress and oat. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.phytochem.2004.03.035
• 作为产物：
  描述：

  1-Benzyloxy-2-methyl-4-(4-methyl-pent-3-enyl)-benzene 在 palladium on activated charcoal 吡啶 、 四氧化锇 、 N-甲基吲哚酮 、 氢气 、 pyridinium hydrobromide perbromide 作用下， 以 甲醇 、 氯仿 、 水 、 丙酮 、 叔丁醇 为溶剂， 反应 15.0h， 生成 5-(3-bromo-4-hydroxy-3-methylphenyl)-2-methylpentane-2,3-diol
  参考文献：
  名称：

  Plant-growth inhibitory activity of heliannuol derivatives

  摘要：

  In addition to (+)-, (-)- and (+/-)-heliannuol E, growth-inhibitory activities of five synthetic chromans and four tetrahydrobenzo[b]oxepins were examined against oat and cress. All heliannuol E isomers exhibited similar biological activities against cress, whereas when tested against oat roots, the unnatural optical isomer (+) showed no inhibitory activity. Four brominated chromans and two tetrahydrobenzo[b]oxepin derivatives also showed apparent inhibition against both cress and oat. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.phytochem.2004.03.035