1047665-11-1

Basic information

• Product Name: [Pd(η2-methyl (4-nitrophenyl)propynoate)(neocuproine)]
• CAS NO: 1047665-11-1
• Molecular Weight: 519.853
• Mol File: 1047665-11-1.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: [Pd(η2-methyl (4-nitrophenyl)propynoate)(neocuproine)](CAS DataBase Reference)
• NIST Chemistry Reference: [Pd(η2-methyl (4-nitrophenyl)propynoate)(neocuproine)](1047665-11-1)
• EPA Substance Registry System: [Pd(η2-methyl (4-nitrophenyl)propynoate)(neocuproine)](1047665-11-1)

Safety Data

• Hazardous Substances Data: 1047665-11-1(Hazardous Substances Data)

Upstream product

• 7515-15-3 methyl 3-(4-nitrophenyl)-2-propynoate 
• 484-11-7 2.9-dimethyl-1,10-phenanthroline 

Relevant articles and documents

Mechanistic and kinetic investigation on the formation of palladacyclopentadiene complexes. A novel interpretation involving a bimolecular self-reaction of a monoalkyne intermediate

The stoichiometric reaction between the complex [Pd(η2dmfu) (BiPy)] (dmfu = dimethylfumarate; BiPy = 2,2′-bipyridine) and the deactivated alkynes dmbd (dimethyl-2-butynedioate) and pna (methyl (4-nitrophenyl)propynoate), providing the respective palladacyclopentadienes, was investigated. The mechanism leading to the palladacyclopentadiene derivative involves a bimolecular self-rearrangement of the monoalkyne intermediate [Pd(η2-alk)(BiPy)] (alk = dmbd, pna), followed by the customary attack of the free alkyne on the intermediate [Pd(η2-alk)(BiPy)] itself and on the elusive and highly reactive naked palladium [Pd(BiPy)(0)] formed. The alkyne pna proved to be less effective in the displacement of dmfu than dmbd. The reaction under stoichiometric equimolar conditions of the latter with [Pd(η2-dmfu)(BiPy)] allows the direct determination of the bimolecular self-reaction rate constant k c and consequently the assessment of all the rate constants involved in the overall mechanistic network.