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有机化学
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有机化学 ›› 2006, Vol. 26 ›› Issue (03): 368-371. 上一篇    下一篇

研究简报

双二茂铁甲基碳正离子与乙酰乙酸乙酯的反应及其产物的晶体结构

胡瑞珏，李保国*，曹立志，李树臣   

  1. (内蒙古大学化学化工学院 呼和浩特 010021)
  • 收稿日期:2005-02-05 修回日期:2005-09-12 发布日期:2006-02-28
  • 通讯作者: 李保国

Reaction of Diferrocenylmethyl Carbocation with Ethyl Acetoacetate and Crystal Structure of Its Product

HU Rui-Jue,LI Bao-Guo*,CAO Li-Zhi,LI Shu-Chen   

  1. (College of Chemistry and Chemical Engineering, Inner Mongolia University, Huhhot 010021)
  • Received:2005-02-05 Revised:2005-09-12 Published:2006-02-28
  • Contact: LI Bao-Guo

PDF

775

被引次数

11

双二茂铁甲醇与BF3•OEt2 在CH2Cl2中作用形成稳定的双二茂铁甲基碳正离子, 无需从溶液中分离, 可直接与乙酰乙酸乙酯反应得到了较高产率的双二茂铁甲基乙酰乙酸乙酯. 由苯重结晶得到的单晶经过X射线衍射测试发现, 该化合物属于三斜晶系, 空间群P , a＝0.82554(8) nm, b＝0.96962(10) nm, c＝1.46662(14) nm, α＝105.562(2)°, β＝90.771(2)°, γ＝96.727(2)°, V＝1.2191(19) nm3, Dc＝1.516 g•cm－3, μ＝1.320 mm－1, F(000)＝532, Z＝2.

关键词: 双二茂铁碳正离子, 晶体结构, 乙酰乙酸乙酯, 双二茂铁甲基乙酰乙酸乙酯, 反应

Diferrocenylmethanol was treated with BF3•OEt2 in CH2Cl2 to generate the diferrocenylmethyl carbocation. Without separation from the reaction mixture, the ion was reacted with ethyl acetoacetate to afford the ethyl α-diferrocenylmethylacetate in fairly high yield which was recrystallized from benzene to provide sin-gle crystal. By X-ray single crystal diffraction determination, it was found that the crystal belongs to triclinic system with P , a＝0.82554(8) nm, b＝0.96962(10) nm, c＝1.46662(14) nm, α＝105.562(2)°, β＝90.771(2)°, γ＝96.727(2)°, V＝1.2191(19) nm3, Dc＝1.516 g•cm－3, μ＝1.320 mm－1, F(000)＝532 and Z＝2.

Key words: ethyl α-diferrocenylmethylacetate, crystal structure, ethyl acetoacetate, reaction, diferrocenylmethylcarbonium