Assessment of Mechanistic Hypotheses of 1,3-Dipolar Cycloaddition of (Arylsulfonyl)Allene to Nitrilimines by DFT Reactivity Indices (Articolo in rivista)

Type
Label
  • Assessment of Mechanistic Hypotheses of 1,3-Dipolar Cycloaddition of (Arylsulfonyl)Allene to Nitrilimines by DFT Reactivity Indices (Articolo in rivista) (literal)
Anno
  • 2003-01-01T00:00:00+01:00 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#doi
  • 10.1016/S0040-4020(03)00774-9 (literal)
Alternative label
  • Molteni G., Ponti A. (2003)
    Assessment of Mechanistic Hypotheses of 1,3-Dipolar Cycloaddition of (Arylsulfonyl)Allene to Nitrilimines by DFT Reactivity Indices
    in Tetrahedron (Oxf., Print)
    (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori
  • Molteni G., Ponti A. (literal)
Pagina inizio
  • 5225 (literal)
Pagina fine
  • 5229 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroVolume
  • 59 (literal)
Rivista
Note
  • ISI Web of Science (WOS) (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#affiliazioni
  • Dipartimento di Chimica Organica e Industriale, Universita` degli Studi di Milano, via Camillo Golgi 19, 20133 Milan, Italy Istituto di Scienze e Tecnologie Molecolari, Consiglio Nazionale delle Ricerche, via Camillo Golgi 19, 20133 Milan, Italy (literal)
Titolo
  • Assessment of Mechanistic Hypotheses of 1,3-Dipolar Cycloaddition of (Arylsulfonyl)Allene to Nitrilimines by DFT Reactivity Indices (literal)
Abstract
  • The mechanism of 1,3-dipolar cycloaddition between 1-[2-(acetylamino)phenylsulfonyl]-1,2-propadiene 1 and a series of N-(4- substituted)phenyl-C-methoxycarbonylnitrilimines 2 has been reinvestigated on the basis of DFT calculations and a quantitative formulation of the HSAB principle. Comparison of the new computational results with experimental findings led to the formulation of a mechanistic scheme involving both 1,3-prototropic and 1,3-arylsulfonyl shifts. The role of silver cation is also pointed out. (literal)
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