Acid-catalyzed dehydration and acetolysis of tertiary methyl- and tert-butylcarbinols. Empirical force field treatment of tert-butyl/methyl reactivity ratios in solvolysis reactions of alcohols and p-nitrobenzoates

John S. Lomas;  Pham Kim Luong; Jacques Emile Dubois

doi:10.1021/jo01324a015

Acid-catalyzed dehydration and acetolysis of tertiary methyl- and tert-butylcarbinols. Empirical force field treatment of tert-butyl/methyl reactivity ratios in solvolysis reactions of alcohols and p-nitrobenzoates

The Journal of Organic Chemistry ◽

10.1021/jo01324a015 ◽

1979 ◽

Vol 44 (10) ◽

pp. 1647-1654 ◽

Cited By ~ 12

Author(s):

John S. Lomas ◽

Pham Kim Luong ◽

Jacques Emile Dubois

Keyword(s):

Force Field ◽

Reactivity Ratios ◽

Tert Butyl ◽

Empirical Force Field ◽

Tertiary Methyl ◽

Acid Catalyzed

ChemInform Abstract: ACID-CATALYZED DEHYDRATION AND ACETOLYSIS OF TERTIARY METHYL- AND TERT-BUTYLCARBINOLS. EMPIRICAL FORCE FIELD TREATMENT OF TERT-BUTYL/METHYL REACTIVITY RATIOS IN SOLVOLYSIS REACTIONS OF ALCOHOLS AND P-NITROBENZOATES

Chemischer Informationsdienst ◽

10.1002/chin.197937101 ◽

1979 ◽

Vol 10 (37) ◽

Author(s):

J. S. LOMAS ◽

P. K. LUONG ◽

J. E. DUBOIS

Keyword(s):

Force Field ◽

Reactivity Ratios ◽

Tert Butyl ◽

Empirical Force Field ◽

Tertiary Methyl ◽

Acid Catalyzed

Empirical force field calculations VII. Rotation of the tert-butyl groups on the chair conformers of tert-butylcyclohexane, 9-tert-butylbicyclo[3.3.1]nonane and cis-1,2-di-tert-butylcyclohexane

Recueil des Travaux Chimiques des Pays-Bas ◽

10.1002/recl.19800990703 ◽

2010 ◽

Vol 99 (7-8) ◽

pp. 228-233 ◽

Cited By ~ 7

Author(s):

J. M. A. Baas ◽

B. van de Graaf ◽

A. van Veen ◽

B. M. Wepster

Keyword(s):

Force Field ◽

Force Field Calculations ◽

Tert Butyl ◽

Empirical Force Field ◽

Empirical Force Field Calculations

ChemInform Abstract: TRIFLUOROMETHANESULFONIC ACID CATALYZED REARRANGEMENT OF 2- AND 4-HOMOPROTOADAMANTANE TO METHYLADAMANTANES AND THE EXISTENCE OF METHYLPROTOADAMANTANE ROUTE. EMPIRICAL FORCE FIELD CALCULATIONS

Chemischer Informationsdienst ◽

10.1002/chin.197741203 ◽

1977 ◽

Vol 8 (41) ◽

pp. no-no

Author(s):

N. TAKAISHI ◽

Y. INAMOTO ◽

K. AIGAMI ◽

Y. FUJIKURA ◽

E. OSAWA ◽

...

Keyword(s):

Force Field ◽

Trifluoromethanesulfonic Acid ◽

Force Field Calculations ◽

Empirical Force Field ◽

Acid Catalyzed ◽

Empirical Force Field Calculations

ChemInform Abstract: EMPIRICAL FORCE FIELD CALCULATIONS. VII. ROTATION OF THE TERT-BUTYL GROUPS ON N THE CHAIR CONFORMERS OF TERT-BUTYLCYCLOHEXANE, 9-TERT-BUTYLBICYCLO(3.3.1)NONANE AND CIS-1,2-DI-TERT-BUTYLCYCLOHEXANE

Chemischer Informationsdienst ◽

10.1002/chin.198046083 ◽

1980 ◽

Vol 11 (46) ◽

Author(s):

J. M. A. BAAS ◽

B. VAN DE GRAAF ◽

A. VAN VEEN ◽

B. M. WEPSTER

Keyword(s):

Force Field ◽

Force Field Calculations ◽

Tert Butyl ◽

Empirical Force Field ◽

Empirical Force Field Calculations

Trifluoromethanesulfonic acid catalyzed rearrangement of 2- and 4-homoprotoadamantane to methyladamantanes and the existence of methylprotoadamantane route. Empirical force field calculations

The Journal of Organic Chemistry ◽

10.1021/jo00432a001 ◽

1977 ◽

Vol 42 (12) ◽

pp. 2041-2047 ◽

Cited By ~ 7

Author(s):

Naotake Takaishi ◽

Yoshiaki Inamoto ◽

Koji Aigami ◽

Yoshiaki Fujikura ◽

Eiji Osawa ◽

...

Keyword(s):

Force Field ◽

Trifluoromethanesulfonic Acid ◽

Force Field Calculations ◽

Empirical Force Field ◽

Acid Catalyzed ◽

Empirical Force Field Calculations

ChemInform Abstract: THE IMPORTANCE OF LEAVING GROUP STERIC EFFECTS IN SOLVOLYSIS OF TERTIARY CARBINYL SYSTEMS. EMPIRICAL FORCE FIELD TREATMENT OF ACID-CATALYZED DEHYDRATION OF 2-ALKYL-2-ADAMANTANOLS

Chemischer Informationsdienst ◽

10.1002/chin.197745176 ◽

1977 ◽

Vol 8 (45) ◽

pp. no-no

Author(s):

J. S. LOMAS ◽

PHAM KIM LUONG PHAM KIM LUONG ◽

J.-E. DUBOIS

Keyword(s):

Force Field ◽

Steric Effects ◽

Leaving Group ◽

Empirical Force Field ◽

Acid Catalyzed

The importance of leaving group steric effects in solvolysis of tertiary carbinyl systems. Empirical force field treatment of acid-catalyzed dehydration of 2-alkyl-2-adamantanols

Journal of the American Chemical Society ◽

10.1021/ja00458a041 ◽

1977 ◽

Vol 99 (16) ◽

pp. 5478-5480 ◽

Cited By ~ 18

Author(s):

John S. Lomas ◽

Pham Kim Luong ◽

Jacques Emile Dubois

Keyword(s):

Force Field ◽

Steric Effects ◽

Leaving Group ◽

Empirical Force Field ◽

Acid Catalyzed

Conformation of non-aromatic ring compounds - 89 The conformation of 3-(2,6-dichlorophenyl)glutaric anhydride studied by dynamic proton magnetic resonance and empirical force field calculations

Recueil des Travaux Chimiques des Pays-Bas ◽

10.1002/recl.19740931202 ◽

2010 ◽

Vol 93 (12) ◽

pp. 307-311 ◽

Cited By ~ 7

Author(s):

F. J. Koer ◽

D. H. Faber ◽

C. Altona

Keyword(s):

Magnetic Resonance ◽

Force Field ◽

Aromatic Ring ◽

Proton Magnetic Resonance ◽

Force Field Calculations ◽

Glutaric Anhydride ◽

Ring Compounds ◽

Empirical Force Field ◽

Empirical Force Field Calculations

ChemInform Abstract: EMPIRICAL FORCE FIELD CALCULATIONS FOR BRIDGED ANNULENES

Chemischer Informationsdienst ◽

10.1002/chin.198129078 ◽

1981 ◽

Vol 12 (29) ◽

Author(s):

G. FAVINI ◽

M. SIMONETTA ◽

M. SOTTOCORNOLA ◽

R. TODESCHINI

Keyword(s):

Force Field ◽

Force Field Calculations ◽

Empirical Force Field ◽

Empirical Force Field Calculations

Empirical force field calculations on sandalwood odor molecules

European Journal of Medicinal Chemistry ◽

10.1016/0223-5234(87)90040-7 ◽

1987 ◽

Vol 22 (5) ◽

pp. 479-480 ◽

Cited By ~ 5

Author(s):

Anton Beyer ◽

Peter Wolschann ◽

Armin Becker ◽

Gerhard Buchbauer ◽

Karin Mraz

Keyword(s):

Force Field ◽

Force Field Calculations ◽

Empirical Force Field ◽

Empirical Force Field Calculations