3-acetoxy-1-methoxy-4-(1'-pentanoyl)benzene | 173851-71-3

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-acetoxy-1-methoxy-4-(1'-pentanoyl)benzene
• 英文别名: (5-Methoxy-2-pentanoylphenyl)methyl acetate
• CAS: 173851-71-3
• 化学式: C₁₅H₂₀O₄
• 分子量: 264.321
• InChiKey: GLQNMFADSNOQKZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  19
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-acetoxy-1-methoxy-4-(1'-pentanoyl)benzene 在 lithium aluminium tetrahydride 作用下， 以 乙醚 为溶剂， 反应 0.5h， 生成 E-3-bromomethyl-1-methoxy-4-(1'-pentenyl)benzene
  参考文献：
  名称：

  Synthesis of E-3-Hydroxymethyl-1-methoxy-4-(1′-pentenyl)benzene

  摘要：

  The title compound with exclusively the E-geometry has been synthesized by two independent routes. When this compound was reacted with cerium(IV) ammonium nitrate, it was found that oxidative cyclisation to the corresponding 4-hydroxybenzopyrans did not occur. This further defines the structural parameters required for such oxidative cyclisations.

  DOI：

  10.1080/00397919508011471
• 作为产物：
  描述：

  3-甲氧基苯甲醛 在 吡啶 、 lithium aluminium tetrahydride 、 三氟乙酸 作用下， 反应 72.0h， 生成 3-acetoxy-1-methoxy-4-(1'-pentanoyl)benzene
  参考文献：
  名称：

  Synthesis of E-3-Hydroxymethyl-1-methoxy-4-(1′-pentenyl)benzene

  摘要：

  The title compound with exclusively the E-geometry has been synthesized by two independent routes. When this compound was reacted with cerium(IV) ammonium nitrate, it was found that oxidative cyclisation to the corresponding 4-hydroxybenzopyrans did not occur. This further defines the structural parameters required for such oxidative cyclisations.

  DOI：

  10.1080/00397919508011471

文献信息

• Synthesis of E-3-Hydroxymethyl-1-methoxy-4-(1′-pentenyl)benzene
  作者：Robin G.F. Giles、Ivan R. Green、J. Alexandre X. Pestana

  DOI：10.1080/00397919508011471

  日期：1995.12

  The title compound with exclusively the E-geometry has been synthesized by two independent routes. When this compound was reacted with cerium(IV) ammonium nitrate, it was found that oxidative cyclisation to the corresponding 4-hydroxybenzopyrans did not occur. This further defines the structural parameters required for such oxidative cyclisations.