1-chloro-3-((1-phenylallyl) 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-chloro-3-((1-phenylallyl) oxy) benzene
• 英文别名: 1-chloro-3-((1-phenylallyl)oxy)benzene
• 化学式: C₁₅H₁₃ClO
• 分子量: 244.721
• InChiKey: AKNWLMQJHQFVMX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.65
• 重原子数：
  17.0
• 可旋转键数：
  4.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  9.23
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为产物：
  描述：

  肉桂基氯 、 3-氯苯酚 在 bis[dichloro(pentamethylcyclopentadienyl)ruthenium(III)] 、 potassium carbonate 作用下， 以 乙腈 为溶剂， 反应 16.33h， 以92%的产率得到1-chloro-3-((1-phenylallyl) oxy) benzene
  参考文献：
  名称：

  From precursor to catalyst: the involvement of [Ru(η5-Cp∗)Cl2]2 in highly branch selective allylic etherification of cinnamyl chlorides

  摘要：

  (RuCp*Cl-2)(2), a general entry into Cp*Ru sandwich and half-sandwich chemistry was first used as a precatalyst in allylic etherification of cinnamyl chlorides with up to 98:2 regioselectivity (19 examples). Both the solvent effect and the exsiccant reaction condition are crucial to the reactivity and selectivity. Preliminary mechanism studies and the demonstration of Fluoxetine synthesis were presented in this work as well. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2013.12.074

文献信息

• From precursor to catalyst: the involvement of [Ru(η5-Cp∗)Cl2]2 in highly branch selective allylic etherification of cinnamyl chlorides
  作者：Ravi Kumara Guralamatta Siddappa、Chih-Wei Chang、Rong-Jie Chein

  DOI：10.1016/j.tetlet.2013.12.074

  日期：2014.1

  (RuCp*Cl-2)(2), a general entry into Cp*Ru sandwich and half-sandwich chemistry was first used as a precatalyst in allylic etherification of cinnamyl chlorides with up to 98:2 regioselectivity (19 examples). Both the solvent effect and the exsiccant reaction condition are crucial to the reactivity and selectivity. Preliminary mechanism studies and the demonstration of Fluoxetine synthesis were presented in this work as well. (C) 2013 Elsevier Ltd. All rights reserved.