34829-62-4

Basic information

• Product Name: (C₅H₅)Fe(CO)(P(C₆H₅)3)(C(O)CH(CH₃)CH₂CH₃)
• CAS NO: 34829-62-4
• Molecular Weight: 496.369
• Mol File: 34829-62-4.mol

Chemical Properties

• CAS DataBase Reference: (C₅H₅)Fe(CO)(P(C₆H₅)3)(C(O)CH(CH₃)CH₂CH₃)(CAS DataBase Reference)
• NIST Chemistry Reference: (C₅H₅)Fe(CO)(P(C₆H₅)3)(C(O)CH(CH₃)CH₂CH₃)(34829-62-4)
• EPA Substance Registry System: (C₅H₅)Fe(CO)(P(C₆H₅)3)(C(O)CH(CH₃)CH₂CH₃)(34829-62-4)

Safety Data

• Hazardous Substances Data: 34829-62-4(Hazardous Substances Data)

Upstream product

• 75-03-6 ethyl iodide 
• 2206-27-1 dimethylsulfoxide-d6 
• 69661-73-0 [(η5-C5H5)(CO)2Fe(sBu)] 
• 598-30-1 sec.-butyllithium 
• 12078-28-3 dicarbonylcyclopentadienyliodoiron(II) 
• 12107-04-9 dicarbonyl(cyclopentadienyl)iron(II) chloride 
• 214638-67-2 (C₅H₅)Fe(CO)(P(C₆H₅)3)(CO(CH₂)2CH₃) 

Relevant articles and documents

Cyclopentadienyldicarbonyliron halides as electrophiles: Reactions of (η5-C5H5)Fe(CO)2X with RLi in the presence of PPh3 to produce (η4-exo-RC5H5)Fe(CO)2(PPh 3) and preparation of [(η5-C5H5)Fe(CO)C(O)Me](μ,η ...

Full title: Cyclopentadienyldicarbonyliron halides as electrophiles: Reactions of (η5-C5H5)Fe(CO)2X with RLi in the presence of PPh3 to produce (η4-exo-RC5H5)Fe(CO)2(PPh 3) and preparation of [(η5-C5H5)Fe(CO)C(O)Me](μ,η 1,η1-dppf)[(η4-exo-MeC 5H5)Fe(CO)2]. The reaction of (η5-C5H5)Fe(CO)2X (X = Cl, Br, I) with RLi (R = Me, n-Bu, s-Bu, Ph) in the presence of PPh3 at low temperature changes the η5-C5H5 bonding mode in (η5-C5H5)Fe(CO)2X to an η4-RC5H5 bonding mode in (η4-RC5H5)Fe(CO)2(PPh 3). The X-ray results of (η4-BuC5H5)-Fe(CO)2(PPh 3) reveal an exo-Bu group at the cyclopentadiene ring. The nucleophilic addition of R- is therefore a direct one, without the Fe mediation. Generated in situ, [(η5-C5H5)Fe(CO)2]2 is believed to be the catalyst in the conversion of (η5-C5H5)Fe(CO)2X and PPh3 to the cationic intermediate [(η5-C5H5)Fe(CO)2(PPh 3)]+ which is much more electrophilic toward R- to produce (η4-exo-RC5H5)Fe(CO)2(PPh 3). The conformation of (η4-exo-RC5H5)Fe(CO)2(PPh 3) may be described as a pseudo-square-pyramid with one of the CO ligands at the apical position. Refluxing 1:2 (η5-C5H5)Fe(CO)2Me, and dppf gives (η5-C5H5)Fe(CO) (η1-dppf)C(O)Me which, upon treatment of MeLi at low temperature, yields [(η5-C5H5)Fe(CO)C(O)Me] (μ,η1,η1-dppf)[(η4-exo-MeC 5H5)-Fe(CO)2], a complex with a dppf linking two iosmeric, methylated [(C5H5)Fe(CO)2]units, one end in the form of (η5-C5H5)Fe(CO)C(O)Me and the other end in the form of (η4-exo-MeC5H5)-Fe(CO)2.

STEREOSELECTIVE ELABORATION OF THE ACYL LIGAND IN (η5-C5H5)Fe(CO)(PPh3)(COCH2R) VIA THE ALKYLATION OF THE ANIONS 5-C5H5)Fe(CO)(PPh3)(COCHR)>Li (R = Me, Et)

The stereoselective elaboration of the acyl ligand in the complexes (η5-C5H5)Fe(CO)(PPh3)(COCH2R) by addition of electrophiles to the anions 5-C5H5)Fe(CO)(PPh3)(COCHR)>Li is described (R = Me, Et).