{1-4-η-(6-trimethylacetyl)cycloheptatriene}iron tricarbonyl | 137124-53-9

• 英文名称: {1-4-η-(6-trimethylacetyl)cycloheptatriene}iron tricarbonyl
• CAS: 137124-53-9
• 化学式: C₁₅H₁₆FeO₄
• 分子量: 316.137
• InChiKey: WKHXLWRGQVQHJV-UHFFFAOYSA-N

反应信息

• 作为产物：
  描述：

  {1-4-η-(5-trimethylacetyl)cycloheptatriene}iron tricarbonyl 以 氘代甲醇 为溶剂， 生成 {1-4-η-(6-trimethylacetyl)cycloheptatriene}iron tricarbonyl
  参考文献：
  名称：

  Isomerization pathways of (acylcycloheptatriene)iron tricarbonyl complexes

  摘要：

  The (7-exo-acylcycloheptatriene)Fe(CO)3 complexes (7-acyl) prepared by acylation of the mild organometallic nucleophile (eta(3)-C7H7)Fe(CO)3- isomerize readily to their 5-acyl and 6-acyl isomers. The 5-acyl isomer can be prepared in high yield by deprotonation of 7-acyl or 6-acyl followed by a proton quench. Refluxing 5- or 7-acyl in methanol gives the 6-acyl isomer. Rate studies have been carried out on the sequential isomerization of 7-acyl to 5-acyl to 6-acyl. Data were obtained by H-1 NMR monitoring in methanol-d4 at 40-degrees-C. The results indicate that both steps of the isomerization involve an intermolecular proton-exchange mechanism. Solvent deprotonation of any of the three acyl isomers gives a common conjugate base that can be reprotonated at three sites. Kinetic protonation gives 5-acyl, and thermodynamic protonation gives 6-acyl. Mass spectral analysis shows small but significant amounts of multiple deuterium incorporation, suggesting that the common anion intermediate can also be protonated at the metal to give a transient iron hydride.

  DOI：

  10.1021/om00037a058