Registro completo de metadatos
| Campo DC | Valor | Lengua/Idioma |
|---|---|---|
| dc.creator | Gerosa, Gabriela Guillermina | - |
| dc.creator | Spanevello, Rolando Angel | - |
| dc.creator | Suarez, Alejandra Graciela | - |
| dc.creator | Sarotti, Ariel Marcelo | - |
| dc.date | 2016-06-09T19:21:39Z | - |
| dc.date | 2016-06-09T19:21:39Z | - |
| dc.date | 2015-08 | - |
| dc.date | 2016-06-08T17:58:43Z | - |
| dc.date.accessioned | 2019-04-29T15:49:12Z | - |
| dc.date.available | 2019-04-29T15:49:12Z | - |
| dc.date.issued | 2015-08 | - |
| dc.identifier | Gerosa, Gabriela Guillermina; Spanevello, Rolando Angel; Suarez, Alejandra Graciela; Sarotti, Ariel Marcelo; A joint experimental, in silico and NMR studies towards the rational design of iminium-based organocatalyst derived from renewable sources; American Chemical Society; Journal Of Organic Chemistry; 80; 15; 8-2015; 7626-7634 | - |
| dc.identifier | 0022-3263 | - |
| dc.identifier | http://hdl.handle.net/11336/6132 | - |
| dc.identifier.uri | http://rodna.bn.gov.ar:8080/jspui/handle/bnmm/302899 | - |
| dc.description | An efficient organocatalyst for iminium-ionbased asymmetric Diels−Alder (DA) reactions has beenrationally designed. The most influential structure−activityrelationships were determined experimentally, while DFTcalculations and NMR studies provided further mechanisticinsight. This knowledge guided an in silico screening of 62different catalysts using an ONIOM(B3LYP/6-31G*:AM1)transition-state modeling, which showed good correlationbetween theory and experiment. The top-scored compoundwas easily synthesized from levoglucosenone, a biomass-derived chiral enone, and evaluated in the DA reaction between (E)-cinnamaldehyde and cyclopentadiene. In line with the computational finding, excellent results (up to 97% ee) were obtained. Inaddition, the catalyst could be easily recovered and reused with no loss in its catalytic activity. | - |
| dc.description | Fil: Gerosa, Gabriela Guillermina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Rosario. Instituto de Química Rosario; Argentina | - |
| dc.description | Fil: Spanevello, Rolando Angel. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Rosario. Instituto de Química Rosario; Argentina | - |
| dc.description | Fil: Suarez, Alejandra Graciela. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Rosario. Instituto de Química Rosario; Argentina | - |
| dc.description | Fil: Sarotti, Ariel Marcelo. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Rosario. Instituto de Química Rosario; Argentina | - |
| dc.format | application/pdf | - |
| dc.format | application/pdf | - |
| dc.format | application/pdf | - |
| dc.language | eng | - |
| dc.publisher | American Chemical Society | - |
| dc.relation | info:eu-repo/semantics/altIdentifier/url/http://pubs.acs.org/doi/abs/10.1021/acs.joc.5b01214 | - |
| dc.relation | info:eu-repo/semantics/altIdentifier/doi/http://dx.doi.org/10.1021/acs.joc.5b01214 | - |
| dc.relation | info:eu-repo/semantics/altIdentifier/doi/10.1021/acs.joc.5b01214 | - |
| dc.rights | info:eu-repo/semantics/restrictedAccess | - |
| dc.rights | https://creativecommons.org/licenses/by-nc-sa/2.5/ar/ | - |
| dc.source | reponame:CONICET Digital (CONICET) | - |
| dc.source | instname:Consejo Nacional de Investigaciones Científicas y Técnicas | - |
| dc.source | instacron:CONICET | - |
| dc.subject | BIOMASA | - |
| dc.subject | RMN | - |
| dc.subject | ORGANOCATALIZADOR | - |
| dc.subject | Química Orgánica | - |
| dc.subject | Ciencias Químicas | - |
| dc.subject | CIENCIAS NATURALES Y EXACTAS | - |
| dc.title | A joint experimental, in silico and NMR studies towards the rational design of iminium-based organocatalyst derived from renewable sources | - |
| dc.type | info:eu-repo/semantics/article | - |
| dc.type | info:eu-repo/semantics/publishedVersion | - |
| dc.type | info:ar-repo/semantics/articulo | - |
| Aparece en las colecciones: | CONICET | |
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