This work describes a fast, mild, convenient and simple method for preparing of nitrogen heterocyclic derivatives by MCR reaction under solvent-free condition.

The solvent free route for the synthesis of diaryl sulfoxides from arenes and thionyl chloride in the presence of Lewis acids such as aluminum chloride and ferric chloride on silica gel are described.

Phthalocyanine complexes of Cu, Co, Ni, Fe, Zn, Pd, Pt and Ru have been synthesized from reaction between phthalonitrile and proper metal salts upon exposure to microwave irradiation under solvent-free conditions and considerably reduced reaction times.

A mild and efficient method has been developed for the preparation of substituted coumarins from reaction of various phenols with different β-ketoesters via Pechmann condensation in the presence of Brønsted acidic ionic liquid (N-(4-sulfonic acid) butyl triethylammonium hydrogen sulfate) as an effective catalyst under solvent-free conditions. Different phenols reacted with ethyl acetoacetate to...

In the density functional theory formulation of molecular solvents, the solvation free energy of a solute can be obtained directly by minimization of a functional, instead of the thermodynamic integration scheme necessary when using atomistic simulations. In the homogeneous reference fluid approximation, the expression of the free-energy functional relies on the direct correlation function of t...

Central in a variational implicit-solvent description of biomolecular solvation is an effective free-energy functional of the solute atomic positions and the solute-solvent interface (i.e., the dielectric boundary). The free-energy functional couples together the solute molecular mechanical interaction energy, the solute-solvent interfacial energy, the solute-solvent van der Waals interaction e...

A mild and efficient method has been developed for the preparation of substituted coumarins from reaction of various phenols with different β-ketoesters via Pechmann condensation in the presence of Brønsted acidic ionic liquid (N-(4-sulfonic acid) butyl triethylammonium hydrogen sulfate) as an effective catalyst under solvent-free conditions. Different phenols reacted with ethyl acetoacetate to...

A phase-field free-energy functional for the solvation of charged molecules (e.g., proteins) in aqueous solvent (i.e., water or salted water) is constructed. The functional consists of the solute volumetric and solute-solvent interfacial energies, the solute-solvent van der Waals interaction energy, and the continuum electrostatic free energy described by the Poisson-Boltzmann theory. All these...

Silica sulfuric acid is employed as solid acid catalyst for the clean and less hazardousprotection of carbonyl compounds as 2,4-dinitrophenylhydrazone under solvent-free conditions.

one-pot synthesis of pyrrole derivatives via reaction between activated carbonyl compounds, primary amines and 1,3-dicarbonyls under solvent-free conditions is described‎.