1-[(cyclopropylmethyl)oxy]-3-[(phenylmethyl)oxy]benzene

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 1-[(cyclopropylmethyl)oxy]-3-[(phenylmethyl)oxy]benzene
• 英文别名: 1-(Cyclopropylmethoxy)-3-phenylmethoxybenzene
• 化学式: C₁₇H₁₈O₂
• 分子量: 254.329
• InChiKey: ASYCMUHHRLGMMR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  19
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  18.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  1,3-二氟苯 在 N,N-二甲基丙烯基脲 、 potassium tert-butylate 作用下， 以 甲苯 为溶剂， 反应 24.5h， 生成 1-[(cyclopropylmethyl)oxy]-3-[(phenylmethyl)oxy]benzene
  参考文献：
  名称：

  Novel Synthesis of Desymmetrized Resorcinol Derivatives:  Aryl Fluoride Displacement on Deactivated Substrates

  摘要：

  A short, high-yielding synthesis of differentially substituted resorcinol derivatives has been developed that utilizes 1,3difluorobenzene as the starting material and employs sequential nucleophilic aromatic substitution (SNAr) reactions to generate desymmetrized products. The scope and limitations of the second SNAr reaction on the deactivated 1-alkoxy-3-fluorobenzene intermediates have been investigated. This methodology has also been employed in the synthesis of desymmetrized catechol derivatives from 1,2difluorobenzene.

  DOI：

  10.1021/jo0523868

文献信息

• RS 1-{4-[2-(allyloxy)-ethyl]phenoxy}-3-isopropylamino propan-2-ol, process for preparation thereof and process for preparation of RS betaxolol
  申请人：Joshi Anna Ramesh

  公开号：US20060094903A1

  公开（公告）日：2006-05-04

  The present invention relates to RS 1-4-[2-(allyloxy)-ethyl]phenoxy}-3-isopropylamino propan-2-ol of the formula (1), process for preparation thereof by selective allylation of p-hydroxy phenyl ethanol and use thereof in a preparation of RS betaxolol of formula (2)

  本发明涉及公式（1）的RS 1-4-[2-(烯丙氧基)-乙基]苯氧基}-3-异丙氨基丙醇，其制备方法是通过对p-羟基苯乙醇进行选择性烯丙基化反应，并将其用于制备公式（2）的RS贝他索洛尔。
• US6989465B1
  申请人：——

  公开号：US6989465B1

  公开（公告）日：2006-01-24
• US7227039B2
  申请人：——

  公开号：US7227039B2

  公开（公告）日：2007-06-05
• Novel Synthesis of Desymmetrized Resorcinol Derivatives:  Aryl Fluoride Displacement on Deactivated Substrates
  作者：Aujin Kim、Jeremiah D. Powers、Jennifer F. Toczko

  DOI：10.1021/jo0523868

  日期：2006.3.1

  A short, high-yielding synthesis of differentially substituted resorcinol derivatives has been developed that utilizes 1,3difluorobenzene as the starting material and employs sequential nucleophilic aromatic substitution (SNAr) reactions to generate desymmetrized products. The scope and limitations of the second SNAr reaction on the deactivated 1-alkoxy-3-fluorobenzene intermediates have been investigated. This methodology has also been employed in the synthesis of desymmetrized catechol derivatives from 1,2difluorobenzene.