Search results for "SELECTIVITY"

Understanding the local reactivity in polar organic reactions through electrophilic and nucleophilic Parr functions

2013

[EN] Building upon our recent studies devoted to the bonding changes in polar reactions [RSC Advances, 2012, 2, 1334 and Org. Biomol. Chem., 2012, 10, 3841], we propose herein two new electrophilic, P-k(+), and nucleophilic, P-k(-), Parr functions based on the spin density distribution at the radical anion and at the radical cation of a neutral molecule. These local functions allow for the characterisation of the most electrophilic and nucleophilic centres of molecules, and for the establishment of the regio- and chemoselectivity in polar reactions. The proposed Parr functions are compared with both, the Parr-Yang Fukui functions [J. Am. Chem. Soc. 1984, 106, 4049] based on frontier molecul…

Electrocarboxylation of benzyl chlorides at silver cathode at the preparative scale level

2008

Abstract The electrocarboxylation of benzyl chlorides to the corresponding carboxylic acids performed at silver cathodes was investigated both theoretically and experimentally in order to find the influence of the operative parameters on the selectivity and on the Faradic efficiency of the process. Theoretical considerations were confirmed by the electrocarboxylation of 1-phenyl-1-chloroethane performed in undivided cells equipped with sacrificial anodes both in a bench-scale electrochemical batch reactor and in a continuous batch recirculation reaction system equipped with a parallel plate electrochemical cell. Selectivity and Faradic yields higher than 80% and 70%, respectively, were obta…

Metal-free regioselective C–C bond cleavage in 1,3,5-triazine derivatives of β-diketones

2014

Metal-free regioselective activation of a carbon–carbon bond in 1,3,5-triazine derivatives of β-diketones is easily achieved, in the absence of a catalyst, with the assistance of intramolecular hydrogen bonding.

Inside Cover: Regioselective Metal‐ and Reagent‐Free Arylation of Benzothiophenes by Dehydrogenative Electrosynthesis (Angew. Chem. Int. Ed. 40/2018)

2018

Oxidative dehydrogenation of propane and n-butane on V-Mg based catalysts

1994

Abstract The catalytic properties of vanadium supported catalysts for the oxidative dehydrogenation of propane and n-butane has been studied. Natural Sepiolite and magnesium oxalate were used as starting support materials. Large differences in the type of crystalline phases were detected on the calcined catalysts depending on the vanadium content and nature of the support. The active and selective sites for the oxidative dehydrogenation of propane and n-butane, are related with isolated V 5+ with atetrahedral coordination. The presence of vanadium species with coordination higher than 4 negatively influence the selectivity to dehydrogenation products.

ChemInform Abstract: Leaving Group and Regioselectivity Switches in the Aminoalkylation Reaction of Indoles and Related Heterocycles with α-Amido Sul…

2013

Two methods are presented which allow the regioselective C- or N-aminoalkylation of indoles, pyrroles or azaindoles.

Selective CO2 adsorption by a triazacyclononane-bridged microporous metal-organic framework.

2011

Metal-organic frameworks constructed by self-assembly of metal ions and organic linkers have recently been of great interest in the preparation of porous hybrid materials with a wide variety of functions. Despite much research in this area and the large choice of building blocks used to fine-tune pore size and structure, it remains a challenge to synthesise frameworks composed of polyamines to tailor the porosity and adsorption properties for CO(2). Herein, we describe a rigid and microporous three-dimensional metal-organic framework with the formula [Zn(2)(L)(H(2)O)]Cl (L=1,4,7-tris(4-carboxybenzyl)-1,4,7-triazacyclononane) synthesised in a one-pot solvothermal reaction between zinc ions a…

ChemInform Abstract: Indirect Regioselective Heteroarylation of Indoles Through a Friedel-Crafts Reaction with (E)-1,4-Diaryl-2-buten-1,4-diones.

2010

Abstract A two-step synthesis of 3-heteroaryl indoles has been developed. The first step of the sequence involves a Friedel–Crafts alkylation of indoles with 1,4-diaryl-2-buten-1,4-diones to give the corresponding indoles bearing a 1,4-dicarbonyl moiety. The reaction is catalyzed by InCl 3 and takes place with good yields. Cyclization of the diones under different Paal–Knorr conditions allows to prepare indoles substituted at the C3 position with 3-furanyl, 3-pyrrolyl- and 3-thienyl moieties.

Gold(0) Nanoparticles for Selective Catalytic Diboration

2008

Indirect regioselective heteroarylation of indoles through a Friedel–Crafts reaction with (E)-1,4-diaryl-2-buten-1,4-diones

2009

Abstract A two-step synthesis of 3-heteroaryl indoles has been developed. The first step of the sequence involves a Friedel–Crafts alkylation of indoles with 1,4-diaryl-2-buten-1,4-diones to give the corresponding indoles bearing a 1,4-dicarbonyl moiety. The reaction is catalyzed by InCl 3 and takes place with good yields. Cyclization of the diones under different Paal–Knorr conditions allows to prepare indoles substituted at the C3 position with 3-furanyl, 3-pyrrolyl- and 3-thienyl moieties.