6-(3-Bromo-4-hydroxy-5-methyl-phenyl)-2-methyl-heptane-2,3-diol | 748152-08-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 6-(3-Bromo-4-hydroxy-5-methyl-phenyl)-2-methyl-heptane-2,3-diol
• 英文别名: 6-(3-Bromo-4-hydroxy-5-methylphenyl)-2-methylheptane-2,3-diol
• CAS: 748152-08-1
• 化学式: C₁₅H₂₃BrO₃
• 分子量: 331.25
• InChiKey: NVTYXVRXVVRQFO-UHFFFAOYSA-N

物化性质

• 沸点：
  429.1±45.0 °C(Predicted)
• 密度：
  1.333±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  19
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.6
• 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：

  6-(3-Bromo-4-hydroxy-5-methyl-phenyl)-2-methyl-heptane-2,3-diol 在 四丁基高氯酸铵 作用下， 以 硝基甲烷 为溶剂， 以62%的产率得到8-Bromo-2-(1-hydroxy-1-methyl-ethyl)-5,10-dimethyl-1-oxa-spiro[5.5]undeca-7,10-dien-9-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：

  (4-bromo-2-methylphenoxy)(tert-butyl)dimethylsilane 在 三乙基硅烷 、 四氧化锇 、 正丁基锂 、 N-甲基吲哚酮 、 三氟化硼乙醚 、 四丁基氟化铵 、 溴 作用下， 以 四氢呋喃 、 正己烷 、 二氯甲烷 、 氯仿 、 水 、 丙酮 、 叔丁醇 为溶剂， 反应 20.25h， 生成 6-(3-Bromo-4-hydroxy-5-methyl-phenyl)-2-methyl-heptane-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