i) Apply quantitative molecular modelling to the design of new and selective reagents for useful synthetic transformations, particularly enantio and diastereo-selective carbon-carbon bond formation.
(ii) Develop new approaches to the computational modelling of organic reactions, which have greater accuracy and range of applications relative to existing methods. The ultimate goal in this field is the development of quantitative models for reactions involving all synthetically important elements in the first row of the Periodic Table.
(iii) Design and synthesize new and useful organic reagents and molecules, valuable to the chemical industry and in the development of new pharmaceuticals and materials.
(iv) Transfer expertise and knowledge within the network in the general areas of stereoselective organic synthesis and molecular modelling. Strengthen the scientific relationships between the participants.
(v) Train young scientists within the European Community, particularly at the postdoctoral level, in contemporary organic synthesis and molecular modelling.
Quantitative molecular modelling has been applied to the design of new and selective reagents for useful synthetic transformations, particularly enantioselective and diastereoselective carbon carbon bond formation. New approaches to the computational modelling of organic reactions have been developed, which have greater accuracy and range of applications relative to existing methods. Computer assisted design of new chiral boron enolates has been undertaken. A molecular mechanics model of the transition state for the addition of allyl and crotyl boronates to aldehydes has been developed. New enantioselective boron enolates bearing menthone derived chiral ligands have been developed. New stereoselective ketone boron enolates derived from lactate esters have been developed. Enantioselective catalysts for reactions of nitroalkanes have been designed. Synthetic catalysts for amide hydrolysis have been designed. New molecules with interesting conformational properties have been designed. Stereoselective nucleophilic epoxidations of electron poor alkenes have been developed. Approaches to the total synthesis of immunosuppressant Discodermolide, Macrolactin-A and the antitumour compound Taxol have been made.
Funding SchemeCSC - Cost-sharing contracts
NE1 7RU Newcastle Upon Tyne
CB2 1EW Cambridge