801221-16-9

Basic information

• Product Name: [(phenyl)B(CH₂P(iPr)2)3(methyl)iron(II)]
• Synonyms: [(phenyl)B(CH₂P(iPr)2)3(methyl)iron(II)]
• CAS NO: 801221-16-9
• Molecular Weight: 552.332
• Mol File: 801221-16-9.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: [(phenyl)B(CH₂P(iPr)2)3(methyl)iron(II)](CAS DataBase Reference)
• NIST Chemistry Reference: [(phenyl)B(CH₂P(iPr)2)3(methyl)iron(II)](801221-16-9)
• EPA Substance Registry System: [(phenyl)B(CH₂P(iPr)2)3(methyl)iron(II)](801221-16-9)

Safety Data

• Hazardous Substances Data: 801221-16-9(Hazardous Substances Data)

Upstream product

• 579444-62-5 {[PhBP₃^iPr]}FeCl 
• 917-54-4 methyllithium 

Downstream Products

• 801221-22-7 [(C₆H₅B(CH₂P(CH(CH₃)2)2)3)Fe(P(CH₃)3)] 
• 801221-19-2 (PhB(CH₂P^iPr₂)₃)Fe(H)₃(PMe₃) 
• 881087-52-1 [iron(II)(phenyl)B(CH2P(iPr)2)3(hydride)(η3-H2Si(methylphenyl))] 
• 801221-20-5 [(C₆H₅B(CH₂P(CH(CH₃)2)2)3)Fe(H)3(P(C₂H₅)3)] 
• 881087-53-2 [iron(II)(phenyl)B(CH2P(iPr)2)3(hydride)(η3-H2Si(methyl)(2,4,6-(methyl)3C6H2)] 

Relevant articles and documents

Considering FeII/IV redox processes as mechanistically relevant to the catalytic hydrogenation of olefins by [PhBPiPr 3]Fe-Hx species

Several coordinatively unsaturated pseudotetrahedral iron(II) precursors, [PhBPiPr3]Fe-R ([PhBPiPr3] = [PhB(CH2PiPr2)3]-; R = Me (2), R = CH2Ph (3), R = CH2CMe3 (4)) have been prepared from [PhBPiPr3]FeCl (1) that serve as precatalysts for the room-temperature hydrogenation of unsaturated hydrocarbons (e.g., ethylene, styrene, 2-pentyne) under atmospheric H2 pressure. The solid-state crystal structures of 2 and 3 are presented. To gain mechanistic insight into the nature of these hydrogenation reactions, a number of [PhBPiPr3]-supported iron hydrides were prepared and studied. Room-temperature hydrogenation of alkyls 2-4 in the presence of a trapping phosphine ligand affords the iron(IV) trihydride species [PhBP iPr3]Fe(H)3(PR3) (PR3 = PMe3 (5); PR3 = PEt3 (6); PR3 = PMePh2 (7)). These spectroscopically well-defined trihydrides undergo hydrogen loss to varying degrees in solution, and for the case of 7, this process leads to the structurally identified Fe(II) hydride product [PhBP iPr3]Fe(H)(PMePh2) (9). Attempts to prepare 9 by addition of LiEt3BH to 1 instead lead to the Fe(I) reduction product [PhBPiPr3]Fe(PMePh2) (10). The independent preparations of the Fe(II) monohydride complex [PhBP iPr3]FeII(H)(PMe3) (11) and the Fe(I) phosphine adduct [PhBPiPr3]Fe(PMe3) (8) are described. The solid-state crystal structures of trihydride 5, monohydride 11, and 8 are compared and demonstrate relatively little structural reorganization with respect to the P3Fe-P′ core motif as a function of the iron center's formal oxidation state. Although paramagnetic 11 (S = 1) is quantitatively converted to the diamagnetic trihydride 5 under H 2, the Fe(I) complex 8 (S = 3/2) is inert toward atmospheric H 2. Complex 10 is likewise inert toward H2. Trihydrides 5 and 6 also serve as hydrogenation precatalysts, albeit at slower rates than that for the benzyl complex 3 because of a rate-contributing phosphine dependence. That these hydrogenations appear to proceed via well-defined olefin insertion steps into an Fe-H linkage is indicated by the reaction between trihydride 5 and ethylene, which cleanly produces the ethyl complex [PhBPiPr 3]Fe(CH2CH3) (13) and an equivalent of ethane. Mechanistic issues concerning the overall reaction are described.