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4-Oxothiazolidines with Exocyclic C=C Double Bond(s): Synthesis, Structure, Reactions and Biological Activity
(Bentham Science Publ Ltd, Sharjah, 2014)
4-Oxothiazolidine core, owing to the wide range of pharmacological activities exhibited by its derivatives, has been recognized as an important structural motif in biologically active compounds. A subclass constitutes ...
A theoretical study on borenium ion affinities toward ammonia, formaldehyde and chloride anions
(Royal Soc Chemistry, Cambridge, 2015)
Various borenium ion affinities toward three ligands (L' = NH3, HCHO and Cl-) have been evaluated by DFT calculations in the gas-phase and in solvent (CH2Cl2). The gas-phase results have been rationalized on the basis of ...
Unusual mode of reactivity of 2-alkylidene-4-oxothiazolidine S-oxides under the Pummerer reaction conditions
(Oxford : Pergamon-Elsevier Science Ltd, 2013)
The reactivity of 2-alkylidene-4-oxothiazolidine S-oxides under the Pummerer reaction conditions, using Ac2O, TFAA, SOCl2 and SOBr2 as initiators, has been examined. Almost all reactions proceeded with absolute regioselectivity ...
Silica Gel as a Promoter of Sequential Aza-Michael/Michael Reactions of Amines and Propiolic Esters: Solvent- and Metal-Free Synthesis of Polyfunctionalized Conjugated Dienes
(Wiley-V C H Verlag Gmbh, Weinheim, 2018)
We present an efficient, simple, metal- and solvent-free silica-gel-promoted synthesis of functionalized conjugated dienes by sequential aza-Michael/Michael reactions by starting from commercially available primary amines ...
Silica Gel as a Promoter of Sequential Aza-Michael/Michael Reactions of Amines and Propiolic Esters: Solvent- and Metal-Free Synthesis of Polyfunctionalized Conjugated Dienes
(Wiley-V C H Verlag Gmbh, Weinheim, 2018)
We present an efficient, simple, metal- and solvent-free silica-gel-promoted synthesis of functionalized conjugated dienes by sequential aza-Michael/Michael reactions by starting from commercially available primary amines ...
Energy decomposition analysis of gauche preference in 2-haloethanol, 2-haloethylamine (halogen = F, Cl), their protonated forms and anti preference in 1-chloro-2-fluoroethane
(Royal Soc Chemistry, Cambridge, 2015)
2-Haloethanol and 2-haloethylamine (halogen = F, Cl) prefer gauche conformation. This preference is significantly increased upon protonation. Commonly used explanations are based on intramolecular hydrogen bonding and ...
Copper-Sulfate Pentahydrate as a Product of the Waste Sulfuric Acid Solution Treatment
(Springer, New York, 2012)
The aim of this study is synthesis of copper-sulfate pentahydrate from the waste sulfuric acid solution-mother liquor generated during the regeneration process of copper bleed solution. Copper is removed from the mother ...
H-1 NMR Chemical Shifts of Cyclopropane and Cyclobutane: A Theoretical Study
(American Chemical Society (ACS), 2013)
This study was undertaken in order to rationalize the peculiar H-1 NMR chemical shifts of cyclopropane (delta 0.22) and cyclobutane (delta 1.98) which are shifted upfield and downfield with respect to larger cycloalkanes ...
Structure, configuration, conformation and quantification of the push pull-effect of 2-alkylidene-4-thiazolidinones and 2-alkylidene-4,5-fused bicyclic thiazolidine derivatives
(Oxford : Pergamon-Elsevier Science Ltd, 2010)
Structures of a series of push-pull 2-alkylidene-4-thiazolidinones and 2-alkylidene-4,5-fused bicyclic thiazolidine derivatives were optimized at the B3LYP/6-31G(d) level of theory in the gas phase and discussed with respect ...
Magnetic Anisotropy of the C-C Single Bond
(Wiley-V C H Verlag Gmbh, Weinheim, 2013)
Anisotropic effects are broadly used in NMR spectroscopy for structure elucidation. With the development of computational methods it has become possible to quantify the effects and obtain further insight into their origin. ...