952067-48-0

Basic information

• Product Name: [Pd(η3-CH2CMeC=CMe2)(dppb)][B(C6H3-3,5-(CF3)2)4]
• Synonyms: [Pd(η3-CH2CMeC=CMe2)(dppb)][B(C6H3-3,5-(CF3)2)4]
• CAS NO: 952067-48-0
• Molecular Weight: 1491.28
• Mol File: 952067-48-0.mol

Chemical Properties

• CAS DataBase Reference: [Pd(η3-CH2CMeC=CMe2)(dppb)][B(C6H3-3,5-(CF3)2)4](CAS DataBase Reference)
• NIST Chemistry Reference: [Pd(η3-CH2CMeC=CMe2)(dppb)][B(C6H3-3,5-(CF3)2)4](952067-48-0)
• EPA Substance Registry System: [Pd(η3-CH2CMeC=CMe2)(dppb)][B(C6H3-3,5-(CF3)2)4](952067-48-0)

Safety Data

• Hazardous Substances Data: 952067-48-0(Hazardous Substances Data)

Upstream product

• 4773-87-9 3-bromo-2,4-dimethylpenta-1,3-diene 
• 79060-88-1 sodium tetrakis[(3,5-di-trifluoromethyl)phenyl]borate 
• 7688-25-7 1,4-di(diphenylphosphino)-butane 

Relevant articles and documents

Synthesis, structure, and reactivity of (1,2,3-η3-butadien- 3-yl)palladium complexes

The cationic exo-isopropylidene-π-allylpalladium complex [Pd(η3-CH2CMeC=CMe2)(dppb)]BAr F4 (1; ArF = C6H3-3,5- (CF3)2), was prepared, and its solid-state structure was determined by X-ray crystallography. The CMe2 plane of the exo-isopropylidene moiety and the η3-CH2CMeC plane are not coplanar, with a dihedral angle of 66.06°. A reaction between 1 and a stabilized nucleophile, Na[CMe(CO2Me)2], took place at the terminal methylene carbon of η3-CH2CMeC to give the corresponding aliene exclusively. On the other hand, a reaction of 1 with a Grignard reagent proceeded via an initial nucleophilic attack at the Pd center to give a conjugated diene. Complex 1 showed good catalytic activity in the reactions between 2-bromo-1,3-dienes and stabilized nucleophiles, and a variety of allenes were obtained in good yields. The dynamic process of forming the alkylidene-π-allylpalladium complexes from 2-bromo-1,3-dienes and Pd(O) was also examined.