87137-61-9

Basic information

• Product Name: trans-Fe(CO)3(PPh₂CH=CH₂)2
• Synonyms: trans-Fe(CO)3(PPh₂CH=CH₂)2
• CAS NO: 87137-61-9
• Molecular Weight: 564.34
• Mol File: 87137-61-9.mol

Chemical Properties

• CAS DataBase Reference: trans-Fe(CO)3(PPh₂CH=CH₂)2(CAS DataBase Reference)
• NIST Chemistry Reference: trans-Fe(CO)3(PPh₂CH=CH₂)2(87137-61-9)
• EPA Substance Registry System: trans-Fe(CO)3(PPh₂CH=CH₂)2(87137-61-9)

Safety Data

• Hazardous Substances Data: 87137-61-9(Hazardous Substances Data)

Upstream product

• 16940-66-2 sodium tetrahydroborate 
• 13463-40-6 iron pentacarbonyl 
• 2155-96-6 Diphenylvinylphosphine 

Downstream Products

• 87137-63-1 trans-Fe(CO)4(η1-PPh2CH2CH2PPh2)2 

Relevant articles and documents

A Facile, high-yield synthesis of trans-Fe(CO)3(PR3)2 from Fe(CO)5, Fe(CO)4CHO-, HFe(CO)4-, or HFe(CO)3PR3-

The reaction of Fe(CO)5 with PR3 and NaBH4 in refluxing n-butyl alcohol affords high yields of trans-Fe(CO)3(PR3)2. It has been shown that Fe(CO)4PR3, which does not appear in the collected product, is also not a significant intermediate in the reaction. The reaction proceeds by initial formation of H2 gas and Fe(CO)4CHO-. The formyl complex decomposes to HFe(CO)4- which reacts with PR3 to give the disubstituted product. The principal intermediate for this substitution is believed to be HFe(CO)3PR3-, although polynuclear species may also be important. The substitution of HFe(CO)4- by PR3 is favorable when the counterion is Na+ but not when it is PPN+. The overall reaction is very sensitive to choice of solvent; substitution of ethanol for n-butyl alcohol leads to greatly reduced yields.

Unidentate diphosphine complexes. Crystal structure and molecular geometry of Fe(CO)4(η1-PPh2CH2CH 2PPh2)

The unidentate diphosphine complexes Fe(CO)4(η1-PPh2CH2CH 2PPh2) and trans-Fe(Co)3(η1-PPh2CH2CH 2PPh2)2 have been prepared by base-promoted addition of PPh2H to Fe(CO)4(PPh2CH=CH2) and trans-Fe(CO)3(PPh2CH=CH2)2, respectively. The crystal structure and molecular geometry of Fe-(CO)4(η1-PPh2CH2CH 2PPh2) have been determined by X-ray diffraction techniques. The compound crystallizes in the monoclinic space group P21/c with a = 8.518 (3) A?, b = 21.897 (6) A?, c = 14.341 (3) A?, and β = 93.74 (3)°. The geometry about iron is trigonal bipyramidal with one end of the diphosphine bonded axially. 31P{1H} NMR shows that phosphorus-phosphorus coupling through the metal in trans-Fe-(CO)3(η1-PPh2CH2CH 2PPh2)2 is relatively small (30.4 Hz).