化学学报 ›› 2007, Vol. 65 ›› Issue (16): 1670-1674. 上一篇    下一篇

研究论文

两种取代二茂铁基三甲基硅烷基氰醇醚的合成及晶体结构

王晓丽*,1, 王艳学2, 边占喜2   

  1. (1内蒙古师范大学化学与环境科学学院 呼和浩特 010022)
    (2内蒙古大学化学化工学院 呼和浩特 010021)
  • 投稿日期:2007-02-01 修回日期:2007-04-10 发布日期:2007-08-28
  • 通讯作者: 王晓丽

Synthesis and Crystal Structures of Two Ferrocenyl and Trimethylsilyl Substituted Cyanohydrin Ethers

WANG Xiao-Li*,1; WANG Yan-Xue2; BIAN Zhan-Xi2   

  1. (1 College of Chemistry & Environment Science, Inner Mongolia Normal University, Huhhot 010022)
    (2 College of Chemistry and Chemical Engineering, Inner Mongolia University, Huhhot 010021)
  • Received:2007-02-01 Revised:2007-04-10 Published:2007-08-28
  • Contact: WANG Xiao-Li

通过两种取代的乙酰基二茂铁与三甲基氰硅烷的加成反应, 得到两种取代二茂铁基三甲基硅烷基氰醇醚的晶体: 1-(1-氰基-1-三甲基硅烷氧基乙烷基)二茂铁(1), 1,1'-二(1-氰基-1-三甲基硅烷氧基乙烷基)二茂铁(2), 用X射线单晶衍射、元素分析、红外光谱和核磁共振氢谱对分子结构进行了表征. 测试结果表明: 晶体1属正交晶系, Pbca空间群, a=1.1995 nm, b=1.2441 nm, c=2.2183 nm, Z=8, R1=0.0456, wR2=0.0880; 晶体2属正交晶系, Pna2(1)空间群, a=2.0715 nm, b=0.6440 nm, c=1.8411 nm, Z=4, R1=0.0485, wR2=0.0866. 晶体结构表明, 分子中都存在超共轭效应.

关键词: 二茂铁基三甲基硅烷基氰醇醚, 合成, 晶体结构

Two ferrocenyl and trimethylsilyl substituted cyanohydrin ethers have been prepared by the addition of trimethysilyl cyanide to two acetyl-substituted ferrocenes: 1-(1-cyano-1-trimethylsilyloxyethyl)- ferrocene (1) and 1,1'-bis(1-cyano-1-trimethylsilyloxyethyl)ferrocene (2). The structures of these two compounds were characterized by elemental analysis, IR, 1H NMR and X-ray crystallography. Crystal data: compound 1, orthorhombic Pbca, a=1.1995 nm, b=1.2441 nm, c=2.2183 nm, Z=8, R1=0.0456, wR2=0.0880; compound 2, orthorhombic Pna2(1), a=2.0715 nm, b=0.6440 nm, c=1.8411 nm, Z=4, R1=0.0485, wR2=0.0866. Crystal structures showed that there was super conjugation in both compounds.

Key words: ferrocenyl and trimethylsilyl substituted cyanohydrin ether, synthesis, crystal structure