Unraveling the role of water in the stereoselective step of aqueous proline-catalyzed aldol reactions

Chemistry - A European Journal

Volumn 18, Issue 49, 2012, Pages 15868-15874

  Ribas Arino, Jordi ^a   Carvajal, Maria Angels ^b   Chaumont, Alain ^c   Masia, Marco ^d  

^a UNIVERSITY OF BARCELONA   (Spain)

^b UNIVERSITAT ROVIRA I VIRGILI   (Spain)

^c UNIVERSITÉ DE STRASBOURG   (France)

^d UNIVERSITY OF SASSARI   (Italy)

Author keywords

aldol reaction; asymmetric catalysis; molecular dynamics; reaction mechanisms; solvent effects

Indexed keywords

ALDOL CONDENSATION; ALDOL REACTIONS; ALKOXIDES; AMIDO GROUPS; ASYMMETRIC CATALYSIS; CLASSICAL MOLECULAR DYNAMICS; COMPUTATIONAL STUDIES; ENAMINES; FIRST-PRINCIPLES CALCULATION; HYDRATION BEHAVIORS; MOLECULAR DYNAMICS SIMULATIONS; MULTISCALES; ORGANOCATALYTIC; OXYGEN ATOM; PROPANAL; PROPIONALDEHYDE; REACTION MECHANISM; REACTION PATHS; RED LINE; ROLE OF WATER; SELF-CONDENSATION; SOLVATION PATTERNS; SOLVATION SHELL; SOLVENT EFFECTS; STEREO-SELECTIVE; TRANSITION STATE; WATER MOLECULE;

ALDEHYDES; AMIDES; AMINO ACIDS; CALCULATIONS; CATALYSIS; CONDENSATION; CONDENSATION REACTIONS; HYDRATION; HYDROGEN BONDS; KETONES; MOLECULAR DYNAMICS; SILICON; SOLVATION; STEREOSELECTIVITY;

REACTION KINETICS;

EID: 84870029841     PISSN: 09476539     EISSN: 15213765     Source Type: Journal    
DOI: 10.1002/chem.201200007     Document Type: Article

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