252659-28-2

Basic information

• Product Name: trans-[FeH(3-methoxypropionitrile)(dppe)2][BPh₄]
• CAS NO: 252659-28-2
• Molecular Weight: 1258.04
• Mol File: 252659-28-2.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: trans-[FeH(3-methoxypropionitrile)(dppe)2][BPh₄](CAS DataBase Reference)
• NIST Chemistry Reference: trans-[FeH(3-methoxypropionitrile)(dppe)2][BPh₄](252659-28-2)
• EPA Substance Registry System: trans-[FeH(3-methoxypropionitrile)(dppe)2][BPh₄](252659-28-2)

Safety Data

• Hazardous Substances Data: 252659-28-2(Hazardous Substances Data)

Upstream product

• 19392-93-9 trans-hydridochloro-di-{1,2-bis(diphenylphosphino)ethane}iron(II) 
• 110-67-8 3-Methoxypropionitrile 
• 143-66-8 sodium tetraphenyl borate 

Downstream Products

• 252659-37-3 trans-[FeH(CN)(PPh₂(CH₂)2PPh₂)2] 

Relevant articles and documents

Iron(II)-nitrile complexes: Synthesis, structure and property of trans-[FeH(NCR)(dppe)2]+X- (dppe=Ph2PCH2CH2PPh2: R=CH3, CH2CH2OCH3, CH2CH2CH2Cl, C6H5: X=Cl, BPh4, BF4)

Dissolution of trans-FeHCl(dppe)2, 1, in various nitriles under argon led to the formation of complexes of the type trans-[FeH(NCR)(dppe)2]Cl (2a (R=CH3), 3a (R=CH2CH2OMe), 4a (R=CH2CH2CH2Cl), 5a (R=Ph)) in several hours. Complexes 2a-4a could be further converted to trans-[FeH(NCR)(dppe)2][BPh4] (2b-4b) and trans-[FeH(NCR)(dppe)2][BF4] (2c-4c) when they were treated with NaBPh4 and NaBF4, respectively. The stability and electrochemical properties of these complexes appeared to depend mainly on their counteranions (Cl-, BPh4-, BF4-). Compounds 2b, 2c, 3b, 3c, 4b and 4c reacted with KCN or NaCN to give [FeH(CN)(dppe)2] (6). Compound 6 underwent electrophilic addition at the cyano nitrogen by RSO3CF3 (R=Me, H) to give [FeH(CNR)(dppe)2][SO3CF3] (7a for R=Me, 7b for R=H). Crystallographic data for 2b: monoclinic space group P21/c, a=22.508(1) A, b=16.120(1) A, c=19.257(1) A, β=113.86(1)°, Z=4, R(wR2)=0.0361(0.0882). Crystallographic data for 3b: triclinic space group P1, a=13.240(1) A, b=14.732(2) A, c=19.807(1) A, α=75.276(6)°, β=72.466(6)°, γ=82.033(6)°, Z=2, R(wR2)=0.0368(0.0835). Crystallographic data for 7a: monoclinic space group P21/c, a=12.456(1) A, b=21.880(3) A, c=19.924(3) A, β=108.08(1)°, Z=4, R(wR2)=0.0663 (0.1647).