1-methoxy-3-methyl-4-pentylbenzene | 173851-68-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 1-methoxy-3-methyl-4-pentylbenzene
• 英文别名: 4-methoxy-2-methyl-1-pentylbenzene
• CAS: 173851-68-8
• 化学式: C₁₃H₂₀O
• 分子量: 192.301
• InChiKey: LOBIMLRZSPLQEM-UHFFFAOYSA-N

物化性质

• 沸点：
  275.4±9.0 °C(Predicted)
• 密度：
  0.906±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  14
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.54
• 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：

  1-methoxy-3-methyl-4-pentylbenzene 在 sodium hydroxide 、 N-溴代丁二酰亚胺(NBS) 、 lutidine 、 benzyl peroxide 作用下， 以 甲苯 为溶剂， 反应 81.5h， 生成 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 、 汞 、 三氟乙酸酐 、 锌 作用下， 以 甲苯 为溶剂， 反应 75.5h， 生成 1-methoxy-3-methyl-4-pentylbenzene
  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

• <i>p</i>-Selective (sp²)-C–H functionalization for an acylation/alkylation reaction using organic photoredox catalysis
  作者：Ganesh Pandey、Sandip Kumar Tiwari、Bhawana Singh、Kumar Vanka、Shailja Jain

  DOI：10.1039/c7cc07529d

  日期：——

  p-Selective (sp2)-C-H functionalization of electron rich arenes have been achieved for acylation and alkylation reaction, respectively, with acyl/alkylselenides by organic photoredox catalysis involving interesting mechanistic pathway.

  富电子芳烃的p-选择性（sp2）-CH功能化已通过涉及有趣机理的有机光氧化还原催化分别通过酰基/烷基硒化物进行酰化和烷基化反应。
• 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.