Interesting results of catalytic hydrogenation of 3-(2-nitrophenyl)-isoxazoles and 3-(nitro-substituted-phenyl)-2-isoxazolines

The Pd-C-assisted hydrogenolysis of substituted 3-(2-nitrophenyl)-isoxazoles, irrespective of substitution on the isoxa-zole ring, invariably leads to reduction of nitro to amino group with concomitant regiospecific ring closure to yield substituted 4-quinolinamines. In contrast similar hydrogenation of 3-(nitro substituted phenyl)-2-isoxazolines results in reduction of the nitro group only with conservation of isoxazoline ring to yield 3-(amino substituted phenyl)-2-isoxazolines.

Molecular Surface Features in Modeling the HIV-1 RT Inhibitory Activity of 2-(2,6-Disubstituted phenyl)-3-(substituted pyrimidin-2-yl)-thiazolidin-4-ones

The human immunodeficiency virus-1 reverse transcriptase inhibitory activity of 2-(2,6-disubstituted phenyl)-3-(substituted pyrimidin-2-yl)-thiazolidin-4-ones have been analyzed using combinatorial protocol in multiple linear regression (CP-MLR) with several electronic and molecular surface area features of the compounds obtained from Molecular Operating Environment (MOE) software. The study has indicated the role of different charged molecular surface areas in modeling the inhibitory activity of the compounds. The derived models collectively suggested that the compounds should be compact without bulky substitutions on its peripheries for better HIV-1 RT inhibitory activity. It also emphasized the necessity of hydrophobicity and compact structural features for their activity. The scope of the descriptors identified for these analogues have been verified by extending the dataset with different 2-(disubstituted phenyl)-3-(substituted pyridin-2-yl)-thiazolidin-4-ones. The joint analysis of extended dataset highlighted the information content of identified descriptors in modeling the HIV-1 RT inhibitory activity of the compounds.

Studies on Electrophilic Substitution Reactions of 3-Phenyl-cycl[3.2.2]azine

Acetylation and formylation of 3-phenyl-cycl[3.2.2]azine derivatives, in the presence of Lewis acids, have been Investigated. It has been found that the orientation of substitution in 2-carbomethoxy- 3-phenyl-cycl[3.2.2]azine for these two reactions, under Identical conditions, is different.