We present the results of an extended computational study of the electric and magnetic properties connected to Cotton-Mouton birefringences, on the trifluoro- and trichloroborides in the gas phase. The electric dipole polarizabilities, magnetizabilities, quadrupole moments, and higher-order hypersusceptibilities--expressed as quadratic and cubic frequency-dependent response functions--are compu...

We present here results on molecular dynamics simulation of three 7-tert-butylbenzofurans with substituents at the fifth position: CONH(CH2)2OMe (BF1), CONH-c-Pr(cyclopropyl) (BF2) and 3-methylene-γ-butyrolactonyl (BF3), complexed with cyclooxygenase-2 (COX-2), a target for non-steroidal anti-inflammatory drugs (NSAIDs). Perturbative changes in the enzyme structure, energetics of interaction an...

a highly efficient procedure for the preparation of n,n'-alkylidenebisamides in the presence of bf3.sio2 as a catalyst is described. n,n'-alkylidenebisamides have been prepared via one-pot three-component condensation reaction of various aldehydes and amides. all of the reactions proceeded in high yields and in moderately short reaction times.

Various sulfonamides have been synthesized from triazenes and sulfur dioxide. In the presence of just a catalytic amount of BF3·OEt2, a series of 1-aryl-triazenes were converted into sulfonyl hydrazines in good to excellent yields. When using CuCl2 as the catalyst, the corresponding sulfonamides can be produced from the 1-aryl triazenes in good yields.

Nitrogen heterocycles are ubiquitous in natural products and pharmaceuticals. Herein, we disclose a nitrogen complexation strategy that employs a strong Brønsted acid (HBF4) or an azaphilic Lewis acid (BF3) to enable remote, non-directed C(sp(3))-H oxidations of tertiary, secondary, and primary amine- and pyridine-containing molecules with tunable iron catalysts. Imides resist oxidation and pro...

in this research we used heavy propylene tetramer (hpt) and a1c13 —bf3 (lewis acids) ascatalyst and ethanol, n-propanol and n-butanol as co-catalyst. using lewis acids as catalyst, thehpts form molecules with higher molecular weight. since the raw materials of the reaction are byproducts of other reactions, are not pure and contain various compounds with different m.w andalso different chemical...