高等学校化学学报

高等学校化学学报 ›› 1994, Vol. 15 ›› Issue (11): 1579.

• 论文 •    下一篇

二茂铁基正庚基β-二酮的合成及晶体结构

刘占梅, 连锡山, 刘启旺, 韩利民, 苏宁   

  1. 内蒙古大学化学系, 呼和浩待, 010021
  • 收稿日期:1994-09-03 修回日期:1994-04-20 出版日期:1994-11-24 发布日期:1994-11-24
  • 通讯作者: 刘占梅,女,56岁.副教授.
  • 作者简介:刘占梅,女,56岁,副教授.
  • 基金资助:

    国家自然科学基金

Synthesis and Crystal Structure of Ferrocenyl n-Heptyl β-Diketone

LIU Zhan-Mei, LIAN Xi-Shan, LIU Qi-Wang, HAN Li-Min, SU Ning   

  1. Department of Chemistry, Inner Mongolica university, Huhehot, 010021
  • Received:1994-09-03 Revised:1994-04-20 Online:1994-11-24 Published:1994-11-24

PDF (PC)

摘要： 在氢化钠存在下,用乙酰基二茂铁与正辛酸乙酯进行缩合反应,合成了标题化合物FeCOCH2COC7H15(Fc=C5H5FeC5H4).X射线衍射测定其晶体学数据为:C20H26FeO2,空间群P21/n,a=0.5790(1)nm,b=4.1634(4)nm,c=0.7635(1)nm,β=101.39(1)°,Z=4.最终的偏离因子R=0.050.结构分析表明,该化合物分子以烯醇式形式存在,通过分子内氢键,形成六元环,环中O…H氢键距离为0.146nm.β-二羰基中与正庚基相连接的羰基易于烯醇化。

关键词: 二茂铁, &beta, －二酮, 晶体分子结构

Abstract: The title compound, C5H5FeC5H4COCH2COC7H15 was synthesized by Claisen condensation of acetylferrocene with ethyl octoate, and it was characterized by elementary analysis, UV-Vis, IR, 1H NMRand MSspectra, Its crystal and molecular structure was determined by X-ray diffraction. Compound C20H26FeO2, M=354.26, belongs to monoclinic system with a space group P21/n, a=0.5790(1) nm, b=4.1634(4)nm, c=0.7635(1) nm, β=101.39(1)°, V=1.8042(4)nm3, z=4.D=1.30 g/cm3, F(000)=752, μ=8.40 cm-1.The final R=0.050 and Rw=0.059. The results of the structure analysis indicate that the β-diketone exists only in the enol form, and a six membered ring is formed through the intramolecular hydrogen bond.The hydrogen-bonded H Odistance is 0.146 nm.

Key words: Ferrocene, β-Diketone, Crystal and molecular structure

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