title: Structure-selectivity relationship in ruthenium-catalyzed regio- and stereoselective addition of alkynes to pyrazoles: an experimental and theoretical investigation.
abstract: Ruthenium(II) complexes, [Ru(dppe)(PPh3)(CH(3)CN)(2)Cl][BPh4] {dppe = diphenylphosphinoethane} (1) and [Ru(dppp)2(CH(3)CN)Cl][BPh4] (2){dppp = diphenylphosphinopropane}, are efficient catalysts for vinylation of pyrazoles by alkynes. While the 1-catalyzed reaction is trans-selective, the corresponding 2-catalyzed reaction is cis-selective. The experimental results have been rationalized by density functional theory calculations.
authors.affiliation: Department of Chemistry, Indian Institute of Technology , Kharagpur 721 302, India.
authors.forename: Uttam Kumar
authors.initials: UK
authors.lastname: Das
authors.forename: Subhajit
authors.initials: S
authors.lastname: Mandal
authors.forename: Anakuthil
authors.initials: A
authors.lastname: Anoop
authors.forename: Manish
authors.initials: M
authors.lastname: Bhattacharjee
mesh_terms: D000480:Alkynes / Q000737:chemistry*; D002384:Catalysis; D056831:Coordination Complexes / Q000737:chemistry*; D008958:Models, Molecular; D011720:Pyrazoles / Q000737:chemistry*; D012428:Ruthenium / Q000737:chemistry*; D013237:Stereoisomerism
chemical_list: D000480:Alkynes; D056831:Coordination Complexes; D011720:Pyrazoles; D012428:Ruthenium