Synthesis of Ethyl 2-(4-halobenzyl)-3-oxobutanoate and determination of its Biological activity by using prediction of activity spectra for substance

Abstract

In this study, Synthesis of ethyl 2-(4-halobenzyl)-3-oxobutanoate was carried out by using addition of substituted benzyl bromide to a suspension of t-BuOK (Potassium tert-butoxide) in THF (tetrahydrofuran). The reaction mixture was then refluxed for 12 hr. The progress of reaction was monitored using thin layer chromatography (TLC). Synthesize compound are characterized by elemental analysis and spectral analysis like infra red spectroscopy, nuclear magnetic spectroscopy and mass spectroscopy (IR,1H-NMR, MS). Pharmacological activity of these compound were predicted by individually using prediction of activity spectra for substance (PASS). It shows various pharmacological activities and mechanism of action such as L-glucuronate reductase inhibitor, Gluconate 2-dehydrogenase (acceptor) inhibitor, Centromere associated protein inhibitor, Eye irritation, inactive, GST A substrate, Pectate lyase inhibitor, 5-O-(4-coumaroyl)-D-quinate 3'-monooxygenase inhibitor, Acetylcholine neuromuscular blocking agent, Antihypoxic, Aspulvinone dimethylallyl transferase inhibitor.