Molecular structures of regioisomeric 7-arylidene hexahydroindazoles from (1)H NMR spectra

2009 John Wiley & Sons, Ltd.

Bibliographische Detailangaben
Veröffentlicht in:Magnetic resonance in chemistry : MRC. - 1985. - 47(2009), 6 vom: 01. Juni, Seite 488-96
1. Verfasser: Pivnenko, Nikolay S (VerfasserIn)
Weitere Verfasser: Turov, Alexander V, Abakumov, Vladimir V, Kutulya, Lidiya A, Shishkina, Svetlana V, Shishkin, Oleg V
Format: Online-Aufsatz
Sprache:English
Veröffentlicht: 2009
Zugriff auf das übergeordnete Werk:Magnetic resonance in chemistry : MRC
Schlagworte:Journal Article (3S,3aR,6R,7E)-7-(4-methoxybenzylidene)-3,4,5,7-hexahydro-3-(4-methoxyphenyl)-2,6-dimethyl-2H-indazole Indazoles Protons
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520 |a The structural characterization of two regioisomeric products of the interaction of 2,6-bis-(4-methoxybenzylidene)-3R-methylcyclohexanone with methyl hydrazine was achieved using (1)H NMR spectral data, including chemical shifts, coupling constants and results of COSY and nuclear overhauser effect (NOE) experiments. Configurations of the new chiral centers in the (3S,3aR,6R,7E)-7-(4-methoxybenzylidene)-3,4,5,7-hexahydro-3-(4-methoxyphenyl)-2,6-dimethyl- and 2,4-dimethyl-2H-indazoles were assigned on the basis of experimental data combined with molecular modeling by the density functional theory (DFT) method. The distinction in the helical twisting power of studied compounds under addition to a nematic liquid crystal is discussed on the basis of peculiarities of the molecular structures 
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700 1 |a Abakumov, Vladimir V  |e verfasserin  |4 aut 
700 1 |a Kutulya, Lidiya A  |e verfasserin  |4 aut 
700 1 |a Shishkina, Svetlana V  |e verfasserin  |4 aut 
700 1 |a Shishkin, Oleg V  |e verfasserin  |4 aut 
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