181572-66-7

Basic information

• Product Name: [5-(acetyloxy)-2,4-pentadienal]Fe(CO)2(PPh₃)
• Synonyms: [5-(acetyloxy)-2,4-pentadienal]Fe(CO)2(PPh₃)
• CAS NO: 181572-66-7
• Molecular Weight: 514.297
• Mol File: 181572-66-7.mol

Chemical Properties

• CAS DataBase Reference: [5-(acetyloxy)-2,4-pentadienal]Fe(CO)2(PPh₃)(CAS DataBase Reference)
• NIST Chemistry Reference: [5-(acetyloxy)-2,4-pentadienal]Fe(CO)2(PPh₃)(181572-66-7)
• EPA Substance Registry System: [5-(acetyloxy)-2,4-pentadienal]Fe(CO)2(PPh₃)(181572-66-7)

Safety Data

• Hazardous Substances Data: 181572-66-7(Hazardous Substances Data)

Upstream product

• 63593-86-2 (CH₃C(O)O(CH)4CHO)Fe(CO)3 
• 603-35-0 triphenylphosphine 

Downstream Products

• 181572-81-6 (CH₃C(O)O(CH)4CH₂OH)Fe(CO)2(P(C₆H₅)3) 

Relevant articles and documents

Synthesis and reactivity of cyclic and acyclic (1-(acyloxy)pentadienyl)Fe(CO)2LX and (1-alkoxypentadienyl)Fe(CO)2LX salts (L = CO, PPh3)

A variety of cyclic and acyclic [(pentadienyl)Fe(CO)2L]X complexes (L = CO, PPh3) containing terminal acyloxy or alkoxy substituents have been prepared. In situ NMR studies indicate that for the acyclic series where L = CO, stability is limited by solvolysis reactions. The position of nucleophilic attack (ipso for alkoxy, internal for acyloxy) in the acyclic series indicates an electron-donating and electron-withdrawing nature for alkoxy and acyloxy substituents, respectively. In the cyclic series, the different regiodirecting powers of alkoxy and acyloxy groups provide access to regioisomeric substituted cyclohexadienyl salts. Crystal structures of the ψ-exo and ψ-endo stereoisomers of [5-(benzoyloxy)-2,4-hexadien-1-ol]Fe-(CO)2PPh3 (34 and 35) and of [(1,3,4,5-η)-1-(benzoyloxy)-2-methyl-3-pentene-1,5-diyl]Fe-(CO) 2PPh3 (57) have been determined.