A facile and efficient method for the preparation of 1,1-diacetates of aldehydes is improved. The acidified kaolin with sulfuric acid (2 % w/w) catalyzed 1,1-diacetates formation from aldehydes in solvent-free conditions. Both aromatic and aliphatic aldehydes gave high yields (85-95 %) of the corresponding 1, 1-diacetates. Advantages of this method are the use of inexpensive and selective catal...

A theoretical study at the B3LYP/6-31++G(d,p) level was performed on the tatumerization of 7H-purine-2, 6-diamine into 9H-purine-2, 6-diamine. Such a tautomerism can take place via three different pathways namely A, B, and C. The energetic results associated with the gas phase reveal that pathways A, B, and C display a very high activation Gibbs free energy of 45.1, 68.6 and 48.9 kcal/mol, resp...

A green and efficient one pot, three component protocol for synthesis of naphthopyranopyrimidines by cyclocondensation of β-naphthol, aldehyde, and 6-amino-1,3-dimethyluracil using L-proline as a beneficial catalyst with high catalytic activity under solvent-free conditions at 100 °C is described. In this study, several types of aromatic aldehyde, containing electron-withdrawing groups as well ...

3-methyl-1-sulfonic acid imidazolium tetrachloroferrate {[Msim]FeCl4} as an efficient sulfur catalyst was prepared and applied, as an efficient catalyst, for the cross-aldol condensation reaction between cycloalkanones and arylaldehydes to give α,αʹ- bis(arylidene)cycloalkanones in high yields and short reaction times at 75 °C under solvent-free conditions. 3-methyl-1-sulfonic acid imidazolium...

A convenient synthetic method for the synthesis of 2,4,5-trisubstituted and 1,2,4,5-tetra substituted imidazole derivatives, has been developed via one-pot condensation reaction in solvent-free condition when aldehyde, ammonium acetate/amine, and 1,2-diketone are reacted using 0.8 mol% of NP-LaMnO3 at 80 °C under solvent free conditions. Catalyst could be recovered and reused in five reaction c...

an efficient and simple one-pot approach for the synthesis of 3,4-dihydropyrimidin-2-(1h)-one derivatives using antimony trichloride (sbcl3) as a mild catalyst by means of three-component biginelli reaction between β-keto esters, aldehyde derivatives and urea/thiourea under thermal and solvent-free conditions with excellent yields and short reaction times is reported. this methodology offers se...

A convenient synthetic method for the synthesis of 2,4,5-trisubstituted and 1,2,4,5-tetra substituted imidazole derivatives, has been developed via one-pot condensation reaction in solvent-free condition when aldehyde, ammonium acetate/amine, and 1,2-diketone are reacted using 0.8 mol% of NP-LaMnO3 at 80 °C under solvent free conditions. Catalyst could be recovered and reused in five reaction c...

The ability to accurately model solvent effects on free energy surfaces is important for understanding many biophysical processes including protein folding and misfolding, allosteric transitions, and protein–ligand binding. Although all-atom simulations in explicit solvent can provide an accurate model for biomolecules in solution, explicit solvent simulations are hampered by the slow equilibra...