Collect. Czech. Chem. Commun. 1999, 64, 1761-1769
https://doi.org/10.1135/cccc19991761

Sterically Crowded Heterocycles. XI. A Semiempirical Prediction of Enantiomerization Barriers for Substituted (Z)-3-(Imidazo[1,2-a]pyridin-3-yl)-1-phenylprop-2-en-1-ones

Stanislav Böhm*, Radek Pohl and Josef Kuthan

Department of Organic Chemistry, Prague Institute of Chemical Technology, 166 28 Prague 6, Czech Republic

Individual author index pages


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  • Peter Šilhár, Radek Pohl, Ivan Votruba, Blanka Klepetářová and Michal Hocek*
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    2004, Vol. 69, Issue 8, pp. 1631–1642 [Abstract]
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  • Otto Exner and Stanislav Böhm*
    Resonance Energy in Benzene Derivatives with a Variable Functional Group
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  • Radek Pohl, Stanislav Böhm and Josef Kuthan*
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  • Pavel Šebek, Jiří Novotný, Bohumil Kratochvíl, Marián Schwarz and Josef Kuthan
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  • Stanislav Böhm, Richard Kubík, Jan Němeček and Josef Kuthan
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    1992, Vol. 57, Issue 8, pp. 1672–1683 [Abstract]
  • Marián Schwarz, Pavel Šebek and Josef Kuthan
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    1990, Vol. 55, Issue 11, pp. 2722–2730 [Abstract]
  • Jiří Krechl, Šárka Beranová, Věra Volkeová, Jiří Volke and Josef Kuthan
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    1990, Vol. 55, Issue 8, pp. 2008–2018 [Abstract]
  • Jiří Krechl, Svatava Smrčková, Miroslav Ludwig and Josef Kuthan
    N,N'-diphenylacetamidinium carboxylates
    1990, Vol. 55, Issue 2, pp. 469–478 [Abstract]
  • Jiří Krechl, Svatava Smrčková and Josef Kuthan
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  • Stanislav Böhm and Josef Kuthan
    Quantum chemical prediction of 2H-pyran vibration spectrum
    1990, Vol. 55, Issue 1, pp. 10–20 [Abstract]
  • Zdeněk Friedl and Stanislav Böhm
    Electrostatic effects on ionization equilibria: An MNDO study of proton and hydrogen transfer reactions of 4-fluorobutylamine
    1990, Vol. 55, Issue 1, pp. 1–9 [Abstract]
  • Jiří Krechl, Svatava Smrčková, Františka Pavlíková and Josef Kuthan
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  • Marián Schwarz and Josef Kuthan
    Reaction of organolithium compounds with 1-substituted 2,4,6-triphenylpyridinium perchlorates
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  • Marián Schwarz and Josef Kuthan
    Alkylation of 2,4,4,6-tetraphenyl-1,4-dihydropyridine
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  • Stanislav Böhm, Hanuš Slavík and Josef Kuthan
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  • Stanislav Böhm and Josef Kuthan
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    A study of structure of meta and para substituted phenyl and benzoyl isothiocyanates by the MNDO method
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  • Jiří Krechl, Daniela Mižaninová, Jiří Volke and Josef Kuthan
    Polarographic reduction of p–substituted 1-phenyl-3-aminocarbonylpyridinium salts
    1987, Vol. 52, Issue 6, pp. 1550–1560 [Abstract]
  • Stanislav Böhm, Renata Prantová, David Šaman, Petr Trška and Josef Kuthan
    Reaction of some nucleophiles with 2,6-di-tert-butylpyrylium perchlorate
    1987, Vol. 52, Issue 5, pp. 1305–1314 [Abstract]
  • Zdeněk Friedl, Stanislav Böhm, Igor Goljer, Anna Piklerová, Daniela Poórová, Anna Ríčková and Jaroslav Kováč
    Polar effects on 13C NMR chemical shifts and rotational barriers of amides. A dual substituent parameters analysis of N,N-dimethyl-3-(5-substituted-2-furyl)-acrylamides
    1987, Vol. 52, Issue 2, pp. 409–424 [Abstract]
  • Stanislav Böhm and Josef Kuthan
    MO study of 2,2,4-trimethyl-2H-pyran, the simplest stable 2H-pyran derivative
    1987, Vol. 52, Issue 2, pp. 399–408 [Abstract]
  • Štefan Marchalín, Jan Fähnrich, Milan Popl and Josef Kuthan
    New organic luminophores on the basis of cyano- and dicyanopyridines
    1986, Vol. 51, Issue 5, pp. 1061–1070 [Abstract]
  • Hans-Jörg Hofmann, Christine Bartzsch, Cornelius Weiss and Josef Kuthan
    A MO treatment of solvent influence on the amide group rotation in 1-methylnicotinamides
    1985, Vol. 50, Issue 11, pp. 2438–2442 [Abstract]
  • Štefan Marchalín and Josef Kuthan
    Synthesis of 3,5-dicyano-4-phenyl-2,6-bis(4-p-terphenylyl)-1,4-dihydropyridine. An attempt at extending the Hantzsch synthesis
    1985, Vol. 50, Issue 9, pp. 1962–1970 [Abstract]
  • Štefan Marchalín, Václav Jehlička, Stanislav Böhm, Petr Trška and Josef Kuthan
    Molecular structure of para-substituted 3-aryl-2-arylmethylene-3-oxopropanenitriles in solution phase
    1985, Vol. 50, Issue 9, pp. 1935–1947 [Abstract]
  • Štefan Marchalín and Josef Kuthan
    Synthesis of cyano derivatives with diazaquaterphenyl skeleton
    1985, Vol. 50, Issue 8, pp. 1870–1877 [Abstract]
  • Štefan Marchalín and Josef Kuthan
    Cyclocondensation reactions of 3-aryl-2-benzylidene-3-oxopropanenitriles with acetylaromatic derivatives
    1985, Vol. 50, Issue 8, pp. 1862–1869 [Abstract]
  • Antonín Kurfürst and Josef Kuthan
    Reaction of 3,5-dicyano-2,4,4,6-tetramethyl-1,4-dihydropyridine with nitric acid
    1984, Vol. 49, Issue 11, pp. 2620–2627 [Abstract]
  • Štefan Marchalín and Josef Kuthan
    A new approach to 5H-pyrano[2,3-d]pyrimidine derivatives
    1984, Vol. 49, Issue 10, pp. 2309–2314 [Abstract]
  • Zdeněk Friedl, Pavel Fiedler, Ján Biroš, Věra Uchytilová, Igor Tvaroška, Stanislav Böhm and Otto Exner
    Electrostatic effects on conformational equilibria: Solvation enthalpies and the reaction field theory
    1984, Vol. 49, Issue 9, pp. 2050–2069 [Abstract]
  • Štefan Marchalín and Josef Kuthan
    Cyclocondensation reactions of 4-R-benzylidene-4-phenylbenzoylacetonitriles with cycloalkanones
    1984, Vol. 49, Issue 6, pp. 1395–1408 [Abstract]
  • Josef Kuthan, Jiří Krechl, Martin Bělohradský and Petr Trška
    Mechanism of 1-phenyl-1,4-dihydropyridine formation in reaction of 1-phenylpyridinum chloride with alkali metal alkoxides
    1984, Vol. 49, Issue 3, pp. 597–602 [Abstract]
  • Petr Nesvadba and Josef Kuthan
    Oxidation of 1,2,3,4,6-substituted pyridinium salts with ferricyanide
    1984, Vol. 49, Issue 2, pp. 543–548 [Abstract]
  • Štefan Marchalín, Petr Trška and Josef Kuthan
    13C NMR and IR study of substitution effects and mass spectra of biphenyl analogues of α-cyanochalcones
    1984, Vol. 49, Issue 2, pp. 421–432 [Abstract]
  • Petr Nesvadba, Petr Štrop and Josef Kuthan
    A new heterocyclic ring closure in ferricyanide oxidation of 2,4,6-triphenylpyridinium salts
    1983, Vol. 48, Issue 11, pp. 3307–3314 [Abstract]
  • Štefan Marchalín and Josef Kuthan
    The use of 4-R1-benzylidene-4-phenylbenzoylacetonitriles for synthesis of unsymmetrically substituted 3,5-dicyano-1,4-dihydropyridines and 2-amino-4H-pyrans
    1983, Vol. 48, Issue 11, pp. 3123–3129 [Abstract]
  • Štefan Marchalín and Josef Kuthan
    Synthesis and spectral properties of 4-substituted 2,6-bis-(4-biphenylyl)-3,5-dicyano-1,4-dihydropyridines
    1983, Vol. 48, Issue 11, pp. 3112–3122 [Abstract]
  • Petr Nesvadba and Josef Kuthan
    Oxidative elimination of phenyl group from α position of quaternary quinolinium salts
    1983, Vol. 48, Issue 10, pp. 2965–2969 [Abstract]
  • Františka Pavlíková-Raclová and Josef Kuthan
    Polarographic reduction of 1-(p-substituted benzyl)-3-cyanopyridinium chlorides
    1983, Vol. 48, Issue 8, pp. 2273–2283 [Abstract]
  • Stanislav Böhm and Josef Kuthan
    An ab initio MO study of conformation structure of nicotinamide and its derivatives
    1983, Vol. 48, Issue 7, pp. 1842–1853 [Abstract]
  • Antonín Kurfürst and Josef Kuthan
    Chemical transformations of nitromethyl group in 3,5-dicyano-1,4,4,6-tetramethyl-2-nitromethyl-1,4-dihydropyridine
    1983, Vol. 48, Issue 6, pp. 1718–1728 [Abstract]
  • Antonín Kurfürst and Josef Kuthan
    Quantum-chemical interpretation of electronic absorption spectra of the Hantzsch 1,4-dihydropyridines
    1983, Vol. 48, Issue 5, pp. 1422–1429 [Abstract]
  • Františka Pavlíková-Raclová and Josef Kuthan
    Substituent effect in electrochemical and ferricyanide oxidations of para-substituted 1-benzyl-3-carbamoyl-1,4-dihydropyridines
    1983, Vol. 48, Issue 5, pp. 1408–1421 [Abstract]
  • Františka Pavlíková-Raclová and Josef Kuthan
    Substituent effect in addition of cyanide ion to p-substituted 1-benzyl-3-carbamoylpyridinium chlorides
    1983, Vol. 48, Issue 5, pp. 1401–1407 [Abstract]
  • Stanislav Böhm and Josef Kuthan
    Optimization of molecular geometry of meta-substituted benzoic acids and their anions by gradient CNDO/2 method
    1983, Vol. 48, Issue 4, pp. 1019–1029 [Abstract]
  • Stanislav Böhm and Josef Kuthan
    MO study of molecular and electronic structure of 2,2-dimethyl-2H-pyran and its acyclic valence isomers
    1983, Vol. 48, Issue 4, pp. 1007–1018 [Abstract]
  • Jaroslav Paleček, Manfred Pavlík and Josef Kuthan
    Chemical transformations of ethyl 3,5-dicyano-2,4,4,6-tetramethyl-1,4-dihydro-1-pyridyl acetate, sythesis of a new N-vinyl monomer
    1983, Vol. 48, Issue 2, pp. 617–622 [Abstract]
  • Jaroslav Paleček, Manfred Pavlík and Josef Kuthan
    N-alkylation of Hantzsch 1,4-dihydropyridines with esters of halogenocarboxylic acids
    1983, Vol. 48, Issue 2, pp. 608–616 [Abstract]
  • Petr Nesvadba and Josef Kuthan
    Oxidative elimination of tert-butyl group from α position of quarternary pyridinium salts
    1983, Vol. 48, Issue 2, pp. 511–516 [Abstract]
  • Jiří Krechl and Josef Kuthan
    Molecular geometry of ribofuranoses obtained from semi-empirical MO calculations
    1983, Vol. 48, Issue 2, pp. 504–510 [Abstract]
  • Jiří Krechl and Josef Kuthan
    Semi-empirical MO study of refractions modelling biochemical oxidation of ethanol
    1983, Vol. 48, Issue 2, pp. 484–503 [Abstract]
  • Stanislav Böhm and Josef Kuthan
    Optimization of molecular geometry of para-substituted benzoic acids and their anions by means of gradient CNDO/2 method
    1982, Vol. 47, Issue 12, pp. 3393–3404 [Abstract]
  • Josef Kuthan, Jiří Krechl and Martin Bělohradský
    Preparation of 1-phenyldihydropyridines polydeuterated in their heterocyclic ring
    1982, Vol. 47, Issue 12, pp. 3283–3287 [Abstract]
  • Jiří Krechl, Stanislav Böhm and Josef Kuthan
    Quantum-chemical MO study of protonation of 1-methyl-1,4-dihydronicotinamide
    1982, Vol. 47, Issue 11, pp. 3044–3054 [Abstract]
  • Josef Kuthan and Františka Pavlíková-Raclová
    Polarographic reduction of p-substituted 1-benzyl-3-carbamoylpyridinium chlorides
    1982, Vol. 47, Issue 11, pp. 2890–2903 [Abstract]
  • Stanislav Böhm and Josef Kuthan
    ab initio MO-SCF study of prototropic transformations of non-substituted dihydropyridines
    1982, Vol. 47, Issue 10, pp. 2735–2745 [Abstract]
  • Jiří Krechl and Josef Kuthan
    A CNDO/2 study of reactivity of methylene group in 1-methyl-1,4-dihydronicotinamide
    1982, Vol. 47, Issue 6, pp. 1621–1631 [Abstract]
  • Petr Nesvadba and Josef Kuthan
    Oxidation of polysubstituted pyridinium salts
    1982, Vol. 47, Issue 5, pp. 1494–1502 [Abstract]
  • Dušan Ilavský and Josef Kuthan
    Electronic spectra of 2- and 4-substituted 3,5-dicyano-6-methylpyridines
    1981, Vol. 46, Issue 11, pp. 2687–2695 [Abstract]
  • Stanislav Böhm and Josef Kuthan
    Comparison of non-empirical and semiempirical SCF MO calculations of non-substituted dihydropyridines
    1981, Vol. 46, Issue 9, pp. 2068–2075 [Abstract]
  • Josef Kuthan and Stanislav Böhm
    MO study of molecular and electronic structure of 2H and 4H-pyrans
    1981, Vol. 46, Issue 3, pp. 759–771 [Abstract]
  • Josef Kuthan, Jaroslav Paleček and Jiří Valihrach
    Stable 2H-pyran derivatives accessible by cyclocondensation of p-substituted benzoylacetonitriles
    1981, Vol. 46, Issue 3, pp. 748–758 [Abstract]
  • Jiří Krechl and Josef Kuthan
    CNDO/2 study of interaction of 1-methyl-1,4-dihydronicotinamide and acetaldehyde
    1981, Vol. 46, Issue 3, pp. 740–747 [Abstract]
  • Jaroslav Paleček, Jaroslav Kopecký and Josef Kuthan
    N-alkylation of 3,5-dicyano-2,4,4,6-tetramethyl-1,4-dihydropyridine with some α,ω-dihalogeno-N-alkenes
    1980, Vol. 45, Issue 12, pp. 3370–3377 [Abstract]
  • Josef Kuthan, Antonín Kurfürst, Františka Raclová and Jiří Volke
    Polarographic reduction of 2-nitromethyl-4,4,6-trimethyl-3,5-dicyano-1,4-dihydropyridine and of its 4,4-spiroanalogues
    1980, Vol. 45, Issue 11, pp. 2938–2948 [Abstract]
  • Jiří Krechl and Josef Kuthan
    EHT study of reactivity of methylene group in 1-methyl-1,4-dihydronicotinamide
    1980, Vol. 45, Issue 9, pp. 2425–2432 [Abstract]
  • Ivan Danihel and Josef Kuthan
    Quantum-chemical study of dissociation of meta and para substituted benzoic acids at all-valence-electrons level
    1980, Vol. 45, Issue 8, pp. 2201–2214 [Abstract]
  • Jiří Krechl and Josef Kuthan
    On applicability of CNDO/S-ci method to calculation of electronic spectra. 1-Methyl-3-carbamoylpyridinium cation and 1,4-dihydronicotinamide
    1980, Vol. 45, Issue 8, pp. 2194–2200 [Abstract]
  • Jiří Krechl and Josef Kuthan
    EHT study of system 1-methyl-1,4-dihydronicotinamide-acetaldehyde
    1980, Vol. 45, Issue 8, pp. 2187–2193 [Abstract]
  • Josef Kuthan, Stanislav Böhm and Jiří Mostecký
    Quantum-chemical calculation as an aid in synthesis of prostaglandins, attempt of prediction of relative stability of four stereoisomeric methyl 7-hydroxy-2-oxa-3-oxobicyclo[3.3.0]octane-6-carboxylates
    1980, Vol. 45, Issue 8, pp. 2179–2186 [Abstract]
  • Ivan Danihel, Pavol Kristian, Josef Kuthan and Mária Minčíková
    Quantum-chemical study of substituent effects in meta and para substituted phenyl isothiocyanates in π-electronic approximation
    1980, Vol. 45, Issue 4, pp. 1056–1064 [Abstract]
  • Antonín Kurfürst, Františka Raclová and Josef Kuthan
    Nitration of some polyalkyl-3,5-dicyano-1,4-dihydropyridines and fragmentation of their products by electron impact
    1980, Vol. 45, Issue 2, pp. 397–405 [Abstract]
  • Dušan Ilavský, Václav Jehlička and Josef Kuthan
    Structure of reaction product of 3-aminocrotononitrile with esters of alkoxymethylenecyanoacetic acid
    1979, Vol. 44, Issue 11, pp. 3288–3295 [Abstract]
  • Hans-Jörg Hofmann and Josef Kuthan
    On the conformational structure of nicotinamide and methyl-1,4-dihydronicotinamide
    1979, Vol. 44, Issue 9, pp. 2633–2638 [Abstract]
  • Josef Kuthan, Petr Nesvadba, Milan Popl and Jan Fähnrich
    Some 3-cyano-4,6-diaryl-2-pyridones with luminiscent properties
    1979, Vol. 44, Issue 8, pp. 2409–2416 [Abstract]
  • Dušan Ilavský, Jiří Krechl, Petr Trška and Josef Kuthan
    Electronic structure and properties of alkoxymethylenemalonic acid derivatives
    1979, Vol. 44, Issue 5, pp. 1423–1433 [Abstract]
  • Josef Kuthan, Dušan Ilavský and Jiří Krechl
    Electronic absorption spectra and π-electron structure of 2-propenylidene-1,2-dihydropyridine and its derivatives
    1979, Vol. 44, Issue 3, pp. 884–894 [Abstract]
  • Ivan Danihel and Josef Kuthan
    Contribution to study of π-electronic effects in monosubstituted benzenes
    1979, Vol. 44, Issue 3, pp. 873–883 [Abstract]
  • Josef Kuthan, Stanislav Böhm and Vratislav Skála
    On applicability of EHT method for study of interactions of pyridinium ions with anions. Calculations of pyridine hydrochloride
    1979, Vol. 44, Issue 1, pp. 99–109 [Abstract]
  • Josef Kuthan, Vratislav Skála and Stanislav Böhm
    EHT-study of 1-methylpyridinium fluoride and tetrafluoroborate
    1978, Vol. 43, Issue 11, pp. 3071–3078 [Abstract]
  • Vratislav Skála and Josef Kuthan
    EHT study of interaction of 1-methyl-3-carbamoylpyridinium with cyanide
    1978, Vol. 43, Issue 11, pp. 3064–3070 [Abstract]
  • Josef Kuthan, Vratislav Skála and Stanislav Böhm
    EHT demonstration of ionic structure of 1-methyl-3-carbamoylpyridinium fluoride and tetrafluoroborate
    1978, Vol. 43, Issue 11, pp. 3056–3063 [Abstract]
  • Vratislav Skála and Josef Kuthan
    Contribution to EHT conformation analysis of 1-methyl-3-carbamoylpyridinium cation
    1978, Vol. 43, Issue 11, pp. 3049–3055 [Abstract]
  • Josef Kuthan, Dušan Ilavský, Jiří Krechl, Vladislav Kubelka and Petr Trška
    New cyclocondensation reaction of 3-alkylaminocrotononitriles
    1978, Vol. 43, Issue 8, pp. 2024–2036 [Abstract]
  • Josef Kuthan, Antonín Kurfürst, Zdeněk Prošek and Jaroslav Paleček
    Substituent effect in 1H-NMR spectra of the Hantzsch 1,4-dihydropyridines. meta and para Substituted 4-phenyl derivatives
    1978, Vol. 43, Issue 4, pp. 1068–1079 [Abstract]
  • Lubomír Musil, Jaroslav Paleček and Josef Kuthan
    Substituent effect in electronic and 1H-NMR spectra of 1- and 4-alkylated 3,5-dicyano-2,6-dimethyl-1,4-dihydropyridines
    1978, Vol. 43, Issue 4, pp. 946–959 [Abstract]
  • Josef Kuthan, Ivan Daniel and Vratislav Skála
    Quantum chemical study of dissociation of meta and para substituted benzoic acids in π-electron approximation
    1978, Vol. 43, Issue 2, pp. 447–462 [Abstract]
  • Vratislav Skála, Stanislav Böhm, Jaroslav Paleček and Josef Kuthan
    Electronic and mass spectra of 2,6-disubstituted phenyl and 2-styryl derivatives of 3,5-dicyanopyridines and their 1,4-dihydroanalogues
    1978, Vol. 43, Issue 2, pp. 434–446 [Abstract]