2-allyl-1-allyloxy-3-benzyloxy-4-methoxybenzene | 501368-20-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 2-allyl-1-allyloxy-3-benzyloxy-4-methoxybenzene
• 英文别名: 1-Methoxy-2-phenylmethoxy-4-prop-2-enoxy-3-prop-2-enylbenzene
• CAS: 501368-20-3
• 化学式: C₂₀H₂₂O₃
• 分子量: 310.393
• InChiKey: PGJJQKFWYBUVKK-UHFFFAOYSA-N

物化性质

• 沸点：
  423.9±40.0 °C(predicted)
• 密度：
  1.053±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  23
• 可旋转键数：
  9
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  27.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-allyl-1-allyloxy-3-benzyloxy-4-methoxybenzene 在 Grubbs catalyst first generation 作用下， 以 二氯甲烷 为溶剂， 反应 12.0h， 以88%的产率得到6-benzyloxy-7-methoxy-2,5-dihydrobenzo[b]oxepine
  参考文献：
  名称：

  A New Synthesis of Substituted 2,5-Dihydrobenzo[b]oxepines

  摘要：

  Based on Claisen rearrangement, Baeyer-Villiger oxidation, and ring-closing metathesis (RCM), a series of substituted 2,5-dihydrobenzo[b]oxepines were synthesized from isovanillin in good over-all yields. Other appropriate substituted 2,5-dihydrobenzo[b]oxepines prepared from corresponding phenol derivatives were also described.

  DOI：

  10.3987/com-02-9545
• 作为产物：
  描述：

  2-allyl-3-(benzyloxy)-4-methoxybenzaldehyde 在 硫酸 、 双氧水 、 potassium carbonate 作用下， 以 甲醇 、 丙酮 为溶剂， 反应 1.5h， 生成 2-allyl-1-allyloxy-3-benzyloxy-4-methoxybenzene
  参考文献：
  名称：

  A New Synthesis of Substituted 2,5-Dihydrobenzo[b]oxepines

  摘要：

  Based on Claisen rearrangement, Baeyer-Villiger oxidation, and ring-closing metathesis (RCM), a series of substituted 2,5-dihydrobenzo[b]oxepines were synthesized from isovanillin in good over-all yields. Other appropriate substituted 2,5-dihydrobenzo[b]oxepines prepared from corresponding phenol derivatives were also described.

  DOI：

  10.3987/com-02-9545

文献信息

• A New Synthesis of Substituted 2,5-Dihydrobenzo[b]oxepines
  作者：Eng-Chi Wang、Ming-Kun Hsu、Yu-Li Lin、Keng-Shiang Huang

  DOI：10.3987/com-02-9545

  日期：——

  Based on Claisen rearrangement, Baeyer-Villiger oxidation, and ring-closing metathesis (RCM), a series of substituted 2,5-dihydrobenzo[b]oxepines were synthesized from isovanillin in good over-all yields. Other appropriate substituted 2,5-dihydrobenzo[b]oxepines prepared from corresponding phenol derivatives were also described.