97090-93-2

Upstream product

• 696-59-3 cis,trans-2,5-dimethoxytetrahydrofuran 
• 5467-71-0 4-chlorophenacylamine hydrochloride 
• 109-97-7 pyrrole 
• 536-38-9 4-chlorobenzoylmethyl bromide 

Downstream Products

• 97090-86-3 1-[2-(2-Chloro-benzyloxy)-2-(4-chloro-phenyl)-ethyl]-1H-pyrrole 
• 97090-87-4 1-[2-(4-Chloro-benzyloxy)-2-(4-chloro-phenyl)-ethyl]-1H-pyrrole 
• 97210-23-6 (±)-1-(4-chlorophenyl)-2-(1H-pyrrol-1-yl)ethanol 

Relevant academic research and scientific papers

Palladium-Catalyzed Enantioselective Decarboxylative Allylic Alkylation of Acyclic α- N-Pyrrolyl/Indolyl Ketones

The synthesis of fully substituted α-N-pyrrolyl and indolyl ketones via enantioselective palladium-catalyzed allylic alkylation is described. The acyclic ketones are alkylated in high yields with high enantioselectivities through the use of an electron-deficient phosphinooxazoline ligand, furnishing a highly congested and synthetically challenging stereocenter. The obtained alkylation products contain multiple reactive sites poised for additional functionalizations and diversification.

Discovery of in vitro antitubercular agents through in silico ligand-based approaches

The development of new anti-tubercular agents represents a constant challenge mostly due to the insurgency of resistance to the currently available drugs. In this study, a set of 60 molecules were selected by screening the Asinex and the ZINC collections and an in house library by means of in silico ligand-based approaches. Biological assays in Mycobacterium tuberculosis H37Ra ATCC 25177 strain highlighted (±)-1-(4-chlorophenyl)-2-(1H-imidazol-1-yl)ethyl-4-(3,4-dichlorophenyl)piperazine-1-carboxylate (5i) and 3-(4-chlorophenyl)-5-(2,4-dimethylpyrimidin-5-yl)-2-methylpyrazolo[1.5-a]pyrimidin-7(4H)-one (42) as the most potent compounds, having a Minimum Inhibitory Concentration (MIC) of 4 and 2 μg/4g/mL respectively. These molecules represent a good starting point for further optimization of effective anti-TB agents.