1-乙氧基-4-{[(2-甲基-2-丙烯-1-基)氧基]甲基}苯 | 203583-38-4

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 1-乙氧基-4-{[(2-甲基-2-丙烯-1-基)氧基]甲基}苯
• 英文名称: 3-(4-ethoxybenzyloxy)-2-methyl-1-propene
• 英文别名: 1-Ethoxy-4-{[(2-methylprop-2-en-1-yl)oxy]methyl}benzene；1-ethoxy-4-(2-methylprop-2-enoxymethyl)benzene
• CAS: 203583-38-4
• 化学式: C₁₃H₁₈O₂
• 分子量: 206.285
• InChiKey: CUMJOQRVTLDQFY-UHFFFAOYSA-N

物化性质

• 沸点：
  284.1±20.0 °C(Predicted)
• 密度：
  0.966±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  15
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1-乙氧基-4-{[(2-甲基-2-丙烯-1-基)氧基]甲基}苯 在 Zeolite β 作用下， 以 二氯甲烷 为溶剂， 反应 8.0h， 以65%的产率得到4-(4-乙氧基苯基)-2-甲基丁烷醛
  参考文献：
  名称：

  Mechanistic Aspects of the Zeolite beta Induced Rearrangement of Alkoxybenzyl Allyl Ethers to Aldehydes and Ketones.

  摘要：

  The mechanism for the novel zeolite beta catalyzed rearrangement of alkoxybenzyl allyl ethers to aldehydes and ketones has been investigated by use of cross reactions and deuterium labeling. The reaction is mainly intramolecular and may be described as a nucleophilic attack of the double bond on the electrophilic benzylic carbon of the ether-Lewis acid complex, followed by a 1,2-hydride (or alkyl) migration.

  DOI：

  10.3891/acta.chem.scand.52-0095
• 作为产物：
  描述：

  1-氯甲基-4-乙氧基苯 、 2-甲基-2-丙烯-1-醇 在 sodium hydroxide 作用下， 以72%的产率得到1-乙氧基-4-{[(2-甲基-2-丙烯-1-基)氧基]甲基}苯
  参考文献：
  名称：

  Mechanistic Aspects of the Zeolite beta Induced Rearrangement of Alkoxybenzyl Allyl Ethers to Aldehydes and Ketones.

  摘要：

  The mechanism for the novel zeolite beta catalyzed rearrangement of alkoxybenzyl allyl ethers to aldehydes and ketones has been investigated by use of cross reactions and deuterium labeling. The reaction is mainly intramolecular and may be described as a nucleophilic attack of the double bond on the electrophilic benzylic carbon of the ether-Lewis acid complex, followed by a 1,2-hydride (or alkyl) migration.

  DOI：

  10.3891/acta.chem.scand.52-0095

文献信息

• Mechanistic Aspects of the Zeolite beta Induced Rearrangement of Alkoxybenzyl Allyl Ethers to Aldehydes and Ketones.
  作者：Johan Wennerberg、Torbjörn Frejd、Anny Jutand、Larry L. Miller、Giovanni V. Sebastiani、George W. Francis、József Szúnyog、Bengt Långström

  DOI：10.3891/acta.chem.scand.52-0095

  日期：——

  The mechanism for the novel zeolite beta catalyzed rearrangement of alkoxybenzyl allyl ethers to aldehydes and ketones has been investigated by use of cross reactions and deuterium labeling. The reaction is mainly intramolecular and may be described as a nucleophilic attack of the double bond on the electrophilic benzylic carbon of the ether-Lewis acid complex, followed by a 1,2-hydride (or alkyl) migration.