{1-4-η-6-benzoylcycloheptatriene}iron tricarbonyl | 36630-33-8

• 英文名称: {1-4-η-6-benzoylcycloheptatriene}iron tricarbonyl
• CAS: 36630-33-8
• 化学式: C₁₇H₁₂FeO₄
• 分子量: 336.127
• InChiKey: BBEWPIXVQXBBSS-UHFFFAOYSA-N

反应信息

• 作为反应物：
  描述：

  {1-4-η-6-benzoylcycloheptatriene}iron tricarbonyl 、 potassium hydride 在 methyl iodide 作用下， 以 四氢呋喃 为溶剂， 以78%的产率得到{1-4-η-7-exo-methyl-7-endo-benzoylcycloheptatriene}iron tricarbonyl
  参考文献：
  名称：

  通过（环庚三烯）三羰基铁对七元环进行区域和立体控制的官能化

  摘要：

  (环庚三烯) Fe(CO) 3 的去质子化得到深红色的亲核阴离子 (C 7 H 7 )Fe(CO) 3 (K + )，阴离子与酰氯反应得到 (7-exo-acyl-C 7 H 7 ) Fe(CO) 3 配合物，收率高。通过光谱技术和对苯甲酰衍生物的单晶 X 射线衍射研究对产物进行表征：在单斜晶系 P2 1 /c 空间群中结晶

  DOI：

  10.1021/ja00157a033
• 作为产物：
  描述：

  {1-4-η-7-exo-benzoylcycloheptatriene}iron tricarbonyl 以 甲醇 为溶剂， 以88%的产率得到{1-4-η-6-benzoylcycloheptatriene}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