A study of solvent effects on the stereoselectivity of Diels-Alder reactions through molecular surface electrostatic potentials |
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| Authors: | MR Gholami BA TalebiM Khalili |
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| Institution: | Department of Chemistry, Sharif University of Technology, Tehran, Iran |
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| Abstract: | Statistical models for the study of solvent effects on the endo/exo selectivity of Diels-Alder reactions using molecular surface electrostatic potentials was obtained. The models show that hydrogen bond interactions of solvent molecules favor the predominance of the endo isomer for the reaction of methyl acrylate, methyl methacrylate and methyl trans-crotonate with cyclopentadiene whereas the effect of solvophobicity seems to be negligible. |
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| Keywords: | solvent effect stereoselectivity Diels-Alder reaction electrostatic potential |
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