The role of oxazolidinones in L-proline-assisted aldol-type reactions

Ivan A. Konstantinov; Linda J. Broadbelt

doi:10.1007/s11244-010-9527-3

The role of oxazolidinones in L-proline-assisted aldol-type reactions

Ivan A. Konstantinov, Linda J. Broadbelt

Chemical and Biological Engineering

Research output: Contribution to journal › Article › peer-review

6 Scopus citations

Abstract

In this study, the formation of oxazolidinone intermediates along the reaction coordinates of two L-proline-catalyzed reactions was investigated using high-level quantum mechanical calculations. Our results suggest that the final product is produced via routes other than the currently-adopted catalytic cycle for L-proline, including routes where oxazolidinones are directly involved.

Original language	English (US)
Pages (from-to)	1031-1038
Number of pages	8
Journal	Topics in Catalysis
Volume	53
Issue number	15-18
DOIs	https://doi.org/10.1007/s11244-010-9527-3
State	Published - Sep 2010

Funding

Acknowledgments Funding through the Institute for Catalysis in Energy Processes (ICEP) at Northwestern University which is sponsored by DOE is acknowledged. Computational resources used for this study were available through NERSC. We also would like to acknowledge helpful discussions with Prof. Donna Blackmond at Imperial College, UK.

Keywords

Aldol reactions
DFT
L-proline
Oxazolidinones

ASJC Scopus subject areas

Catalysis
General Chemistry

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10.1007/s11244-010-9527-3

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title = "The role of oxazolidinones in L-proline-assisted aldol-type reactions",

abstract = "In this study, the formation of oxazolidinone intermediates along the reaction coordinates of two L-proline-catalyzed reactions was investigated using high-level quantum mechanical calculations. Our results suggest that the final product is produced via routes other than the currently-adopted catalytic cycle for L-proline, including routes where oxazolidinones are directly involved.",

keywords = "Aldol reactions, DFT, L-proline, Oxazolidinones",

author = "Konstantinov, {Ivan A.} and Broadbelt, {Linda J.}",

note = "Funding Information: Acknowledgments Funding through the Institute for Catalysis in Energy Processes (ICEP) at Northwestern University which is sponsored by DOE is acknowledged. Computational resources used for this study were available through NERSC. We also would like to acknowledge helpful discussions with Prof. Donna Blackmond at Imperial College, UK.",

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T1 - The role of oxazolidinones in L-proline-assisted aldol-type reactions

AU - Konstantinov, Ivan A.

AU - Broadbelt, Linda J.

N1 - Funding Information: Acknowledgments Funding through the Institute for Catalysis in Energy Processes (ICEP) at Northwestern University which is sponsored by DOE is acknowledged. Computational resources used for this study were available through NERSC. We also would like to acknowledge helpful discussions with Prof. Donna Blackmond at Imperial College, UK.

PY - 2010/9

Y1 - 2010/9

N2 - In this study, the formation of oxazolidinone intermediates along the reaction coordinates of two L-proline-catalyzed reactions was investigated using high-level quantum mechanical calculations. Our results suggest that the final product is produced via routes other than the currently-adopted catalytic cycle for L-proline, including routes where oxazolidinones are directly involved.

AB - In this study, the formation of oxazolidinone intermediates along the reaction coordinates of two L-proline-catalyzed reactions was investigated using high-level quantum mechanical calculations. Our results suggest that the final product is produced via routes other than the currently-adopted catalytic cycle for L-proline, including routes where oxazolidinones are directly involved.

KW - Aldol reactions

KW - DFT

KW - L-proline

KW - Oxazolidinones

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ER -

The role of oxazolidinones in L-proline-assisted aldol-type reactions

Abstract

Funding

Keywords

ASJC Scopus subject areas

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