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Solvent effect modelling of isocyanuric products synthesis by chemometric methods

Chemometric tools were used to generate the modelling of solvent e¡ects on the N-alkylation of an isocyanuric acid salt. The method proceeded from a central composite design applied on the Carlson solvent classification using principal components analysis. The selectivity of the reaction was studied...

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Detalles Bibliográficos
Autores principales: Havet, Jean-Louis, Billiau-Loreau, Myriam, Porte, Catherine, Delacroix, Alain
Formato: Texto
Lenguaje:English
Publicado: Hindawi Publishing Corporation 2002
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2562963/
https://www.ncbi.nlm.nih.gov/pubmed/18924731
http://dx.doi.org/10.1155/S1463924602000159
Descripción
Sumario:Chemometric tools were used to generate the modelling of solvent e¡ects on the N-alkylation of an isocyanuric acid salt. The method proceeded from a central composite design applied on the Carlson solvent classification using principal components analysis. The selectivity of the reaction was studied from the production of different substituted isocyanuric derivatives. Response graphs were obtained for each compound and used to devise a strategy for solvent selection. The prediction models were validated and used to search for the best selectivity for the reaction system. The solvent most often selected as the best for the reaction is the N,N-dimethylformamide.