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• W2890905263 abstract "Phosphoramides are an interesting alternative to the thiourea motif that has long been used in organocatalysis. In the R 1 N(H)‐P(O)(R 3 )‐N(H)R 2 formulation, phosphoramides give the advantage of having a third variable substituent, R 3 , compared to the two available in thioureas, and the possibility of introducing chirality with an asymmetric phosphorus center. In this work, we present a systematic computational study on the catalytic properties of these underexplored compounds. These studies show the catalytic potential of a series of substituted phosphoramides in Diels–Alder reactions, including the asymmetric [4+2] cycloaddition of pro‐chiral substrates. The nature of the phosphorus‐bound R 3 substituent has a significant impact both on catalytic activity and enantioselectivity. Remarkably, several of the phosphoramides studied are predicted to be more active than the Schreiner's thiourea organocatalyst." @default.
• W2890905263 created "2018-09-27" @default.
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• W2890905263 date "2018-11-08" @default.
• W2890905263 modified "2023-10-14" @default.
• W2890905263 title "A DFT Perspective on Diels–Alder Organocatalysts Based on Substituted Phosphoramides" @default.
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• W2890905263 doi "https://doi.org/10.1002/ejoc.201800844" @default.
• W2890905263 hasPublicationYear "2018" @default.
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