95408-45-0

Basic information

• Product Name: 1,1'-Bis (di-t-butylphosphino)ferrocene palladium dichloride,
• Synonyms: 1,1'-Bis (di-t-butylphosphino);Dichloro[1,1'-bis(di-tert-butylphosphino)ferrocene]palladiuM(II), Pd 16.3%;PdCl2(dtbpf);PdCl2(dtbpf), 15% Pd, Product of UMicore;[1,1'-Bis(di-tert-butylphosphino)ferrocene]dichlor;1,1′-Bis-(di-tert.-butylphosphino-)ferrocen-palladiumdichlorid;[1,1'-Bis(di-tert-butylphosphino)ferrocene]palladium(II)Dichloride,98%;1,1'-Bis (di-t-butylphosphino)ferrocene palladium dichloride,
• CAS NO: 95408-45-0
• Molecular Formula: C₂₆H₄₄Cl₂FeP₂Pd
• Molecular Weight: 651.753
• EINECS: 1592732-453-0
• Product Categories: Pd;Catalysts for Organic Synthesis;Classes of Metal Compounds;Fe (Iron) Compounds;Homogeneous Catalysts;Metal Complexes;Pd (Palladium) Compounds;Synthetic Organic Chemistry;Transition Metal Compounds
• Mol File: 95408-45-0.mol
• Article Data: 1

Chemical Properties

• Melting Point: 203-208 °C
• Appearance: dark purple/crystal
• Storage Temp.: ?20°C
• Solubility: Soluble in dichloromethane and chloroform. Partially soluble in
• CAS DataBase Reference: 1,1'-Bis (di-t-butylphosphino)ferrocene palladium dichloride,(CAS DataBase Reference)
• NIST Chemistry Reference: 1,1'-Bis (di-t-butylphosphino)ferrocene palladium dichloride,(95408-45-0)
• EPA Substance Registry System: 1,1'-Bis (di-t-butylphosphino)ferrocene palladium dichloride,(95408-45-0)

Safety Data

• Safety Statements: 24/25
• WGK Germany: 3
• Hazardous Substances Data: 95408-45-0(Hazardous Substances Data)

Usage

Uses

Different sources of media describe the Uses of 95408-45-0 differently. You can refer to the following data:
1. [1,1'-Bis(di-tert-butylphosphino)ferrocene]dichloropalladium(II) may be used as catalyst in the Suzuki cross-coupling reaction of various aromatic and heteroaromatic halides with methyliminodiacetic acid derivatives.
2. suzuki reaction
3. 1,1'-Bis (di-t-butylphosphino)ferrocene palladium dichloride is used as a catalyst for the preparation of chalcones.
4. Coupling reactions, Suzuki couplings.Dichloro[1,1'-bis(di-tert-butylphosphino)ferrocene] palladium(II) is used as a catalyst in Suzuki-cross coupling reactions, which involve reaction of aromatic halides with methyliminodiacetic acid derivatives. it is also used as a catalyst for the preparation of chalcones. It is used in the preparation of (bisphosphinometallocene)-palladium(II) chloride complexes, which used as a starting material for the Buchwald-Hartwig reaction.

Chemical Properties

reddish brown crystal

General Description

This product has been enhanced for catalytic efficiency.

Upstream product

• 21050-13-5 bis(triphenylphosphine)iminium chloride 

Relevant articles and documents

Structural, Computational, and Spectroscopic Investigation of [Pd(κ3-1,1′-bis(di-tert-butylphosphino)ferrocenediyl)X]+ (X = Cl, Br, I) Compounds

The reaction of [Pd(dtbpf)Cl2] (dtbpf = 1,1′-bis(di-tert-butylphosphino)ferrocene) with sodium bromide yields [Pd(dtbpf)Br][Br], which displays an interaction between the iron and palladium atoms. The structure of this compound has been obtained and is compared to those of the previously reported [Pd(dtbpf)X]+ (X = Cl, I) analogues. Similar to [Pd(dtbpf)Cl]+, [Pd(dtbpf)Br]+ appears to undergo a solid-state isomerization at low temperature to a species in which the Fe-Pd interaction is disrupted. In addition to 1H and 31P{1H} NMR and visible spectroscopy, the [Pd(dtbpf)X]+ (X = Cl, Br) compounds were also characterized by zero-field 57Fe M?ssbauer spectroscopy. DFT calculations on [Pd(dtbpf)X]+ (X = Cl, Br, I) show that the Fe-Pd interaction is weak and noncovalent and that the strength of the interaction decreases as the halide becomes larger. A related trend is noted in the potential at which oxidation of the iron center occurs; the larger the halide, the less positive the potential at which oxidation occurs. Finally, the catalytic activity of [Pd(dtbpf)X]+ (X = Cl, Br, I) in the arylation of an aromatic ketone was examined and compared to the activity of [Pd(dtbpf)Cl2].