Ab Initio-Based Force Field Modeling of the Transition States And Stereoselectivities of Lewis Acid-Catalyzed Asymmetric Diels-Alder Reactions

Beatriz de Pascual-Teresa; Javier Gonzalez; Amparo Asensio; K. N. Houk

doi:10.1021/ja00120a016

Ab Initio-Based Force Field Modeling of the Transition States And Stereoselectivities of Lewis Acid-Catalyzed Asymmetric Diels-Alder Reactions

Journal of the American Chemical Society ◽

10.1021/ja00120a016 ◽

1995 ◽

Vol 117 (15) ◽

pp. 4347-4356 ◽

Cited By ~ 16

Author(s):

Beatriz de Pascual-Teresa ◽

Javier Gonzalez ◽

Amparo Asensio ◽

K. N. Houk

Keyword(s):

Force Field ◽

Ab Initio ◽

Lewis Acid ◽

Transition States ◽

Diels Alder ◽

Field Modeling ◽

Acid Catalyzed

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Ab Initio Study of the Thermal and Lewis Acid-Catalyzed Hetero Diels-Alder Reactions of 1,3-Butadiene and Isoprene with Sulfur Dioxide

The Journal of Organic Chemistry ◽

10.1021/jo00105a023 ◽

1994 ◽

Vol 59 (26) ◽

pp. 8058-8064 ◽

Cited By ~ 22

Author(s):

D. Suarez ◽

J. Gonzalez ◽

T. L. Sordo ◽

J. A. Sordo

Keyword(s):

Sulfur Dioxide ◽

Ab Initio ◽

Lewis Acid ◽

Diels Alder ◽

Ab Initio Study ◽

Acid Catalyzed

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ChemInform Abstract: Empirical Force-Field Models for the Transition States of Intramolecular Diels-Alder Reactions Based Upon ab initio Transition Structures.

ChemInform ◽

10.1002/chin.199237068 ◽

2010 ◽

Vol 23 (37) ◽

pp. no-no

Author(s):

L. RAIMONDI ◽

F. K. BROWN ◽

J. GONZALEZ ◽

K. N. HOUK

Keyword(s):

Force Field ◽

Ab Initio ◽

Transition States ◽

Diels Alder ◽

Transition Structures ◽

Empirical Force Field

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Empirical force field models for the transition states of intramolecular Diels-Alder reactions based upon ab initio transition structures

Journal of the American Chemical Society ◽

10.1021/ja00038a052 ◽

1992 ◽

Vol 114 (12) ◽

pp. 4796-4804 ◽

Cited By ~ 35

Author(s):

Laura Raimondi ◽

Frank K. Brown ◽

Javier Gonzalez ◽

K. N. Houk

Keyword(s):

Force Field ◽

Ab Initio ◽

Transition States ◽

Diels Alder ◽

Transition Structures ◽

Empirical Force Field

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Ab initio study of the Lewis acid-catalyzed Diels-Alder reaction of sulfur dioxide with isoprene: regioselectivity and stereoselectivity

Journal of the American Chemical Society ◽

10.1021/ja00081a045 ◽

1994 ◽

Vol 116 (2) ◽

pp. 763-764 ◽

Cited By ~ 23

Author(s):

D. Suarez ◽

T. L. Sordo ◽

J. A. Sordo

Keyword(s):

Sulfur Dioxide ◽

Ab Initio ◽

Lewis Acid ◽

Alder Reaction ◽

Diels Alder ◽

Ab Initio Study ◽

Diels Alder Reaction ◽

Acid Catalyzed

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Synthesis of Medium-Sized Carbocycles via a Bidentate Lewis Acid-Catalyzed Inverse Electron-Demand Diels–Alder Reaction Followed by Photoinduced Ring-Opening

Organic Letters ◽

10.1021/acs.orglett.1c00249 ◽

2021 ◽

Author(s):

Julia Ruhl ◽

Sebastian Ahles ◽

Marcel A. Strauss ◽

Christopher M. Leonhardt ◽

Hermann A. Wegner

Keyword(s):

Lewis Acid ◽

Ring Opening ◽

Alder Reaction ◽

Diels Alder ◽

Inverse Electron Demand ◽

Diels Alder Reaction ◽

Acid Catalyzed ◽

Electron Demand

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A computational investigation of the selectivity and mechanism of the Lewis acid catalyzed oxa‐Diels–Alder cycloaddition of substituted diene with benzaldehyde

Journal of Computational Chemistry ◽

10.1002/jcc.26547 ◽

2021 ◽

Author(s):

Abdelmalek Khorief Nacereddine ◽

Lynda Merzoud ◽

Christophe Morell ◽

Henry Chermette

Keyword(s):

Lewis Acid ◽

Diels Alder ◽

Computational Investigation ◽

Acid Catalyzed

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Asymmetric synthesis of N-phenylethyl-2-phenyldecahydroquinolin-4-ones via Lewis acid catalyzed imino-Diels–Alder reaction

Tetrahedron Asymmetry ◽

10.1016/s0957-4166(00)00201-9 ◽

2000 ◽

Vol 11 (12) ◽

pp. 2509-2523 ◽

Cited By ~ 3

Author(s):

Renée Paugam ◽

Emmanuelle Valenciennes ◽

Linda Le Coz-Bardol ◽

Jean-Christophe Garde ◽

Lya Wartski ◽

...

Keyword(s):

Asymmetric Synthesis ◽

Lewis Acid ◽

Alder Reaction ◽

Diels Alder ◽

Diels Alder Reaction ◽

Acid Catalyzed

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ChemInform Abstract: Lewis Acid Catalyzed Hetero Diels-Alder Cycloadditions of 3-Alkyl, 3-Phenyl and 3-Carboxylated 2H-Azirines.

ChemInform ◽

10.1002/chin.200211143 ◽

2010 ◽

Vol 33 (11) ◽

pp. no-no

Author(s):

Colin A. Ray ◽

Erik Risberg ◽

Peter Somfai

Keyword(s):

Lewis Acid ◽

Diels Alder ◽

Acid Catalyzed

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ChemInform Abstract: DIASTEROFACE-DISCRIMINATIVE METAL COORDINATION IN ASYMMETRIC SYNTHESIS: D-PANTOLACTONE AS PRACTICAL CHIRAL AUXILIARY FOR LEWIS ACID CATALYZED DIELS-ALDER REACTIONS

Chemischer Informationsdienst ◽

10.1002/chin.198541072 ◽

1985 ◽

Vol 16 (41) ◽

Author(s):

T. POLL ◽

A. SOBCZAK ◽

H. HARTMANN ◽

G. HELMCHEN

Keyword(s):

Asymmetric Synthesis ◽

Lewis Acid ◽

Diels Alder ◽

Chiral Auxiliary ◽

Metal Coordination ◽

Acid Catalyzed

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Complete regio- and stereospecificity in the Lewis acid catalyzed Diels-Alder reactions of (Z)-2-methoxy-1-(phenylthio)-1,3-butadienes. Conversion of the CS configuration of an adduct to the CC configuration at the allylic position by a [2,3] sigmatropic rearrangement

The Journal of Organic Chemistry ◽

10.1021/jo00141a047 ◽

1982 ◽

Vol 47 (20) ◽

pp. 4005-4008 ◽

Cited By ~ 35

Author(s):

Theodore Cohen ◽

Zenyk Kosarych

Keyword(s):

Lewis Acid ◽

Sigmatropic Rearrangement ◽

Diels Alder ◽

Acid Catalyzed

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