Experimental And Theoretical Study Of The Reactivity Of Primary And Secondary Enaminones Toward Diphenylketene. A Comparison Of Am1 And Ham/3 Semiempirical Methods

dc.creatorEberlin M.N.
dc.creatorTakahata Y.
dc.creatorKascheres C.
dc.date1990
dc.date2015-06-30T14:02:13Z
dc.date2015-11-26T14:40:54Z
dc.date2015-06-30T14:02:13Z
dc.date2015-11-26T14:40:54Z
dc.date.accessioned2018-03-28T21:47:30Z
dc.date.available2018-03-28T21:47:30Z
dc.identifier
dc.identifierJournal Of Organic Chemistry. , v. 55, n. 17, p. 5150 - 5155, 1990.
dc.identifier223263
dc.identifier
dc.identifierhttp://www.scopus.com/inward/record.url?eid=2-s2.0-0000941562&partnerID=40&md5=4c984b546cbe62d70001058b8a4b094a
dc.identifierhttp://www.repositorio.unicamp.br/handle/REPOSIP/99066
dc.identifierhttp://repositorio.unicamp.br/jspui/handle/REPOSIP/99066
dc.identifier2-s2.0-0000941562
dc.identifier.urihttp://repositorioslatinoamericanos.uchile.cl/handle/2250/1250623
dc.descriptionDiazodiphenylethanone (1) reacts with acyclic enamino ketones 2 and enamino esters 3 to form products of electrophilic attack of diphenylketene at Cα (5) and nitrogen (6 and 7). The relative reactivity of the different enaminones was shown to be consistent with HOMO energies determined by the HAM/3 semiempirical method. However, this approach could not completely explain the reactivity of the cyclic enamino ketones 4, which, by HAM/3, show a high-energy second HOMO corresponding to the nonbonded pair of electrons on oxygen. © 1990 American Chemical Society.
dc.description55
dc.description17
dc.description5150
dc.description5155
dc.languageen
dc.publisher
dc.relationJournal of Organic Chemistry
dc.rightsfechado
dc.sourceScopus
dc.titleExperimental And Theoretical Study Of The Reactivity Of Primary And Secondary Enaminones Toward Diphenylketene. A Comparison Of Am1 And Ham/3 Semiempirical Methods
dc.typeArtículos de revistas


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