E-3-bromomethyl-1-methoxy-4-(1'-pentenyl)benzene | 173851-70-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: E-3-bromomethyl-1-methoxy-4-(1'-pentenyl)benzene
• 英文别名: 2-(bromomethyl)-4-methoxy-1-[(E)-pent-1-enyl]benzene
• CAS: 173851-70-2
• 化学式: C₁₃H₁₇BrO
• 分子量: 269.181
• InChiKey: OXWXIHWCEOIQQI-AATRIKPKSA-N

物化性质

• 沸点：
  345.9±27.0 °C(Predicted)
• 密度：
  1.240±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  15
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  E-3-bromomethyl-1-methoxy-4-(1'-pentenyl)benzene 在 sodium hydroxide 作用下， 以 甲苯 为溶剂， 反应 80.0h， 以60%的产率得到E-3-hydroxymethyl-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：

  间甲基苯甲醚 在 盐酸 、 N-溴代丁二酰亚胺(NBS) 、 lutidine 、 benzyl peroxide 、 汞 、 三氟乙酸酐 、 锌 作用下， 以 甲苯 为溶剂， 反应 77.0h， 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

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.