• Catalytic oxidation of benzyl alcohol to benzaldehyde over MnO x catalysts is analyzed in the DFT framework. Oxidation reactivity and selectivity cluster-sized Mn 4 O 8 9 catalytic models compared. Catalyst poisoning addressed by investigating formation benzoic acid following that benzaldehyde. Reaction steps related pathways are collected an original kinetic approach. Experimental strategies...

In the title compound, C(13)H(12)N(2)O(4), the dihedral angle between the benzene and pyrimidine rings is 55.57 (13)°. The carbonyl group and the two methoxyl groups are approximately coplanar with the benzene ring and pyrimidine ring; the C-C-C-O, C-O-C-N and C-O-C-C torsion angles being -6.1 (5), -4.8 (4) and 179.9 (3)°, respectively. In the crystal, mol-ecules are linked via C-H⋯O inter-acti...

In the structure of the title compound, C(12)H(14)N(2)O(3), the piperidine ring adopts a chair conformation and the aryl substitutent occupies an equatorial position.

The reaction scheme shows the various methods which were tried for the preparat ion of the title compounds. Method 1 (ref. [2]) gave a 20% yield, bu t the product was contaminated with start ing material and self-condensation products [3]. Method 2 (ref. [4]) gave a low overall yield, 7 9 % . Method 3 (ref. [5]) gave a low yield, 10% (apparently it is unsuitable for ketones subst i tuted a t C3...

An efficient route to substituted 1-aryl-1H-indazoles has been developed and optimized. The method involved the preparation of arylhydrazones from acetophenone or benzaldehyde substituted by fluorine at C2 and nitro at C5, followed by deprotonation and nucleophilic aromatic substitution (SNAr) ring closure in 45-90%. Modification of this procedure to a one-pot domino process was successful in t...

In the title compound, C(15)H(14)N(2)O(2), the 2,3-dimethyl-anilinic and benzaldehyde groups are planar, with r.m.s. deviations of 0.0101 and 0.0241 Å, respectively, and are oriented at a dihedral angle of 11.69 (3)°. The nitro group is inclined to the benzaldehyde group by 34.02 (9)°. The mol-ecule adopts an E configuration about the C=N bond. In the crystal, mol-ecules are linked via C-H⋯O in...

In this article we describe a new methodology for the total synthesis of 3,4-unsubstituted coumarins from commercially available starting materials. Six examples were prepared, including five naturally occurring coumarins--7-hydroxy-6,8-dimethoxy-coumarin (isofraxidin), 7-hydroxy-6-methoxycoumarin (scopoletin), 6,7,8-trimethoxy-coumarin, 6,7-dimethoxycoumarin (scoparone), and 7,8-dihydroxycouma...

A manganese(II) complex of 2,2’-bipyridine (bipy) was synthesized and characterized by X-ray diffraction, IR, and UV-vis spectroscopy. The activity of the complex was tested for oxidation of benzyl alcohols using t -BuOOH as an oxidant in organic solvents and in an organic/water biphasic system (hexane/H2O, toluene/H2O). The effect of solvent, temperature, oxidant, and some additives (KBr, N(C ...