1-戊酮,1-(4-甲氧基-2-甲基苯基)- | 173851-65-5

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 1-戊酮,1-(4-甲氧基-2-甲基苯基)-
• 英文名称: 1-methoxy-3-methyl-4-(1'-pentanoyl)benzene
• 英文别名: 1-(4-Methoxy-2-methyl-phenyl)-pentan-1-one；1-(4-methoxy-2-methylphenyl)pentan-1-one
• CAS: 173851-65-5
• 化学式: C₁₃H₁₈O₂
• 分子量: 206.285
• InChiKey: PCMYRUVAKMAKCH-UHFFFAOYSA-N

物化性质

• 沸点：
  324.5±22.0 °C(Predicted)
• 密度：
  0.978±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  15
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-戊酮,1-(4-甲氧基-2-甲基苯基)- 在 盐酸 、 N-溴代丁二酰亚胺(NBS) 、 lutidine 、 benzyl peroxide 、 汞 、 锌 作用下， 以 甲苯 为溶剂， 反应 73.5h， 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：

  戊酸,3-甲基苯基酯 在 三氟化硼乙醚 、 potassium carbonate 作用下， 以 丙酮 为溶剂， 反应 6.0h， 生成 1-戊酮,1-(4-甲氧基-2-甲基苯基)-
  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

• CAZES B.; JULIA S., TETRAHEDRON, 1979, 35, NO 22, 2655-2660
  作者：CAZES B.、 JULIA S.

  DOI：——

  日期：——
• 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.