| 1460213-53-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• CAS: 1460213-53-9
• 化学式: C₂₆H₃₈O₃
• 分子量: 410.491
• InChiKey: QLCIXEBNDHLDJF-LINFXEGBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.82
• 重原子数：
  29.0
• 可旋转键数：
  15.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  30.99
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  (E)-3-(5-(2,4-bis(3-methylbut-2-enyloxy)phenyl)-3-methylpent-3-enyl)-2,2-dimethyloxirane 、 在 三氟化硼乙醚 作用下， 以 二氯甲烷 为溶剂， 反应 0.17h， 生成 (2RS,4aRS,9aRS)-1,1,4a-trimethyl-5-(3-methylbut-2-enyl)-6-(3-methylbut-2-enyloxy)-2,3,4,4a,9,9a-hexahydro-1H-xanthen-2-ol 、 (2RS,4aRS,9aRS)-1,1,4a-trimethyl-7-(3-methylbut-2-enyl)-6-(3-methylbut-2-enyloxy)-2,3,4,4a,9,9a-hexahydro-1H-xanthen-2-ol 、 (2RS,4aRS,9aRS)-1,1,4a-trimethyl-6-(3-methylbut-2-enyloxy)-7-(2-methylbut-3-en-2-yl)-2,3,4,4a,9,9a-hexahydro-1H-xanthen-2-ol 、 、 、 、 、 、 、 、 、
  参考文献：
  名称：

  Electrophilic aromatic prenylation via cascade cyclization

  摘要：

  To gain access to prenylated hexahydroxanthenes, tandem cascade cyclization-electrophilic aromatic substitution reactions have been studied on substrates bearing allylic and propargylic substituents. Both BF3 center dot OEt2 and TMSOTf can be used to initiate this reaction sequence, resulting in different ratios of the C-2 and C-6 substitution products. Even though allylic transposition is observed in some cases, the results of a crossover experiment are consistent with an intramolecular reaction sequence. Taken together, these studies now allow preparation of either the C-2 or C-6 prenylated hexahydroxanthene products. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2013.08.056
• 作为产物：
  描述：

  1,1,1-trideutero-2-(1,1,1-trideuteromethyl)-2-butene 、 (E)-3-(5-(2,4-bis(allyloxy)phenyl)-3-methylpent-3-en-1-yl)-2,2-dimethyloxirane 在 RuCl2(1,3-dimesityl-imidazolidin-2-yl)(PCy3)(=CHPh) 作用下， 以 四氢呋喃 、 水 为溶剂， 反应 19.0h， 以53%的产率得到
  参考文献：
  名称：

  Electrophilic aromatic prenylation via cascade cyclization

  摘要：

  To gain access to prenylated hexahydroxanthenes, tandem cascade cyclization-electrophilic aromatic substitution reactions have been studied on substrates bearing allylic and propargylic substituents. Both BF3 center dot OEt2 and TMSOTf can be used to initiate this reaction sequence, resulting in different ratios of the C-2 and C-6 substitution products. Even though allylic transposition is observed in some cases, the results of a crossover experiment are consistent with an intramolecular reaction sequence. Taken together, these studies now allow preparation of either the C-2 or C-6 prenylated hexahydroxanthene products. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2013.08.056