64424-68-6

Basic information

• Product Name: [Fe(CO)2(PPh3)2(η2-CS2)]
• Synonyms: [Fe(CO)2(PPh3)2(η2-CS2)]
• CAS NO: 64424-68-6
• Molecular Weight: 712.593
• Mol File: 64424-68-6.mol
• Article Data: 2

Chemical Properties

• CAS DataBase Reference: [Fe(CO)2(PPh3)2(η2-CS2)](CAS DataBase Reference)
• NIST Chemistry Reference: [Fe(CO)2(PPh3)2(η2-CS2)](64424-68-6)
• EPA Substance Registry System: [Fe(CO)2(PPh3)2(η2-CS2)](64424-68-6)

Safety Data

• Hazardous Substances Data: 64424-68-6(Hazardous Substances Data)

Upstream product

• 15739-18-1 (CO)2Fe(P(C₆H₅)3)3 
• 603-35-0 triphenylphosphine 
• 15321-51-4 diiron nonacarbonyl 
• 66808-76-2 Fe(CO)2(η(2)-CS2)(triphenylphosphite)2 

Downstream Products

• 110904-35-3 iron(η2-CS2(C(CH3)2C6H8(O)CH3))(carbonyl)2((phenyl)3phosphine)2{BF4} 
• 72598-18-6 (Fe(η2-CS2Me)(CO)2(PPh3)2)Cl 
• 14741-34-5 tricarbonyl bis(triphenylphosphine) iron 
• 71004-19-8 (Fe(η2-CS2Me)(CO)2(PPh3)2)PF6 
• 76648-71-0 (Fe(η2-CS2CH2Ph)(CO)2(PPh3)2)Br 
• 110904-45-5 iron((CH(C₆H₅)CH₂COCH₃)2tetrathiooxalate)(carbonyl)2((phenyl)3phosphine) 
• 110904-43-3 iron((2-methylallyl)2tetrathiooxalate)(carbonyl)2((phenyl)3phosphine) 
• 110904-42-2 iron(Et₂tetrathiooxalate)(carbonyl)2((phenyl)3phosphine) 
• 110904-44-4 iron((C(CH₃)2C₆H₈(O)CH₃)2tetrathiooxalate)(carbonyl)2((phenyl)3phosphine) 
• 110904-39-7 (iron)2S₂C₂(S(2-methylallyl))2(carbonyl)4((phenyl)3phosphine)2 
• 110904-38-6 (iron)2S₂C₂(SEt)2(carbonyl)4((phenyl)3phosphine)2 

Relevant articles and documents

Reaction of Fe(CO)2(η2-CS2){P(OR)3} 2 with phosphines: Desulphurization versus substitution. Crystal structures of Fe(CO)2(CS){P(OPh)3}2 and Fe(CO)3{P(OPh)3}2

The reaction of Fe(CO)2(η2-CS2){P(OPh)3} 2 1 with two equivalents of PBu3 in a minimum volume of a polar solvent such as acetonitrile or dimethylsulfoxide afforded the thiocarbonyl derivative Fe(CO)2(CS){P(OPh)3}} 2 in ca. 80% yield whereas reaction in solvents such as dichloromethane or benzene afforded the substitution products Fe(CO)2(η2-CS2){P(OPh) 3}(PBu3) and Fe(CO)2(η2-CS2)(PBu3) 2. Although desulphurization of Fe(CO)2(η2-CS2){P(OR)3} 2 by PBu3 in polar solvents is not a general route to Fe(CO)2(CS){P(OR)3}2 for all R, the new compound Fe(CO)2(CS){P(OEt)3}2 has been obtained and characterised spectroscopically. The crystal structures of 2 and Fe(CO)3{P(OPh)3}2 were determined and are very similar. Both compounds are trigonal bipyramidal about the Fe atom with trans apical phosphite ligands and a trigonal planar arrangement of CO/CS groups. The CS ligand in 2 was found to be disordered over two sites with occupancies 0.63 and 0.37.