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  • Quantum mechanical predictions of the stereoselectivities of proline-catalyzed asymmetric intermolecular aldol reactions.

Quantum mechanical predictions of the stereoselectivities of proline-catalyzed asymmetric intermolecular aldol reactions.

Journal of the American Chemical Society (2003-02-27)
S Bahmanyar, K N Houk, Harry J Martin, Benjamin List
ABSTRACT

Quantum mechanical calculations were employed to predict the ratio of four stereoisomeric products expected from two complex reactions involving the aldol reactions of cyclohexanone with benzaldehyde or with isobutyraldehyde catalyzed by (S)-proline. Experimental tests of these predictions provide an assessment of the state-of-the-art in quantum mechanical prediction of products of complex organic reactions in solution.

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Sigma-Aldrich
Isobutyraldehyde, ≥98%, FG
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100 μL
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CLP 547,500

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Sigma-Aldrich
Isobutyraldehyde, natural, 96%, FG
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100 μL
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CLP 547,500

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Sigma-Aldrich
Isobutyraldehyde, dry, 98%
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SKUPack SizeAvailabilityPrice
100 μL
1 Estimated to ship on 23 February 2025
CLP 547,500

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Sigma-Aldrich
Isobutyraldehyde, redistilled, ≥99.5%
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SKUPack SizeAvailabilityPrice
100 μL
1 Estimated to ship on 23 February 2025
CLP 547,500

To order products, please contact your local dealer.

Sigma-Aldrich
Isobutyraldehyde, 98%
Sign Into View Organizational & Contract Pricing
SKUPack SizeAvailabilityPrice
100 μL
1 Estimated to ship on 23 February 2025
CLP 547,500

To order products, please contact your local dealer.

Sigma-Aldrich
Isobutyraldehyde, ≥99%
Sign Into View Organizational & Contract Pricing
SKUPack SizeAvailabilityPrice
100 μL
1 Estimated to ship on 23 February 2025
CLP 547,500

To order products, please contact your local dealer.