Search results for "CONI"
showing 10 items of 984 documents
ChemInform Abstract: Catalytic Enantioselective Friedel—Crafts Alkylation at the 2-Position of Indole with Simple Enones.
2008
Abstract A procedure for the enantioselective alkylation of indole at the 2-position with simple non-chelating enones is described for the first time. Reaction between 4,7-dihydroindole and enones in the presence of zirconium(IV)–BINOL complexes, followed by a p -benzoquinone oxidation gives indoles alkylated at the 2-position with good yields and moderate enantioselectivities.
Catalytic enantioselective Friedel–Crafts alkylation at the 2-position of indole with simple enones
2007
Abstract A procedure for the enantioselective alkylation of indole at the 2-position with simple non-chelating enones is described for the first time. Reaction between 4,7-dihydroindole and enones in the presence of zirconium(IV)–BINOL complexes, followed by a p -benzoquinone oxidation gives indoles alkylated at the 2-position with good yields and moderate enantioselectivities.
Essential on the Photophysics and Photochemistry of the Indole Chromophore by Using a Totally Unconstrained Theoretical Approach
2015
Indole is a chromophore present in many different molecules of biological interest, such as the essential amino acid tryptophan and the neurotransmitter serotonin. On the basis of CASPT2//CASSCF quantum chemical calculations, the photophysical properties of the system after UV irradiation have been studied through the exploration of the potential energy hypersurfaces of the singlet and triplet low-lying valence excited states. In contrast to previous studies, the present work has been carried out without imposing any restriction to the geometry of the molecule (C1 symmetry) and by performing minimum energy path calculations, which is the only instrument able to provide the lowest-energy evo…
Synthesis of Functionalized Indoles with a Trifluoromethy-Substituted Stereogenic Tertiary Carbon Atom Through an Enantioselective Friedel-Crafts Alk…
2010
[EN] Chiral complexes of BINOL-based ligands with zirconium tert-butoxide catalyze the Friedel-Crafts alkylation reaction of indoles with beta-trifluoromethyl-alpha,beta-unsaturated ketones to give functionalized indoles with an asymmetric tertiary carbon center attached to a trifluoromethyl group. The reaction can be applied to a large number of substituted alpha-trifluoromethyl enones and substituted indoles. The expected products were obtained with good yields and ees of up to 99%.
Edited by Ilan Marek: Titanium and zirconium in organic synthesis. Wiley-VCH, Weinheim, 2002. xxv?+?512 pp. Price �95.00. ISBN 3-527-30428-2
2002
Review: monoclinic zirconia, its surface sites and their interaction with carbon monoxide
2015
This review concerns monoclinic zirconia, its surface sites and their probing with carbon monoxide. The surface sites and their modifications using thermal treatments with vacuum or reactive gases are also included. In this work, we present information on the nature and manipulation of hydroxyl species and their quantities on the surface, the different types of cationic sites where CO is adsorbed linearly and their energetics, as well as the surface sites and dynamics of formate formation. We also compare the surface concentrations of the different surface species to better understand the extent and nature of the interactions. Finally, we discuss some of the remaining open questions and how…
Tungsten(VI) complexes formed in an excess of gluconic acid: A polarimetric and spectrophotometric study
1985
The tungsten(VI)-gluconic acid system in an excess of this organic reagent has been spectroscopically and polarimetrically studied and four species, two mononuclear with stoichiometry 1∶2 (metal∶ligand) and two dinuclear with composition 2∶2, have been identified. The non-formation of a binuclear species with stoichiometry 2∶1 (metal∶ligand) demonstrates some preference towards coordination of carboxylate group.
Dinotrema cavernicola sp. n. (Hymenoptera, Braconidae, Alysiinae), a new species of the genus Dinotrema Foerster from caves of Spain
2014
Dinotrema cavernicola sp. n. was collected in two caves in Spain. This is the first Dinotrema species known to occur in caves. This new species is described and compared to D. affine (Fischer, 1973) and D. collybiae Munk & Peris-Felipo, 2014, species sharing a mid-longitudinal carina on the propodeum.
A theoretical study on the thermal ring opening rearrangement of 1H-bicyclo[3.1.0]hexa-3,5-dien-2-one: a case of two state reactivity
2009
The molecular mechanism of the thermal rearrangement of singlet 1H-bicyclo[3.1.0]hexa-3,5-dien-2-one to give triplet 4-oxocyclohexa-2,5-dienylidene has been investigated using density functional theory (B3LYP and M05-2X functionals) as well as ab initio CASSCF and CASPT2 multiconfigurational methods. The reactant has a singlet ground state while the product can be found in three low lying electronic states P((3)B(1)), P((1)B(1)), and P((1)A'). Therefore, the molecular mechanism of this ring opening rearrangement may involve up to three different potential energy surfaces of two spin multiplicities: two singlet (closed shell, CS, and open shell, OS) and one triplet. The stationary points on …