We herein report the visible light driven isomerization (E)‐β‐nitroacrylates into the corresponding (Z) stereoisomers. The reaction occurs under both batch and continuous flow conditions and afford the desired isomer in quantitative yields.
Two imine compounds named as (E)-2-(((3,4dichlorophenyl)imino)methyl)phenol (DC2H) and (E)-4-(((2,4dimethylphenyl)imino)methyl)phenol (DM4H) are synthesized, and their crystal structures are verified using the single-crystal X-ray diffraction (XRD) technique. The crystal structures of the compounds are compared with the closely related crystal structures using the Cambridge Structural Database (CSD). The crystal packing in terms of intermolecular interactions is fully explored by Hirshfeld surface analysis. Void analysis is carried out for both compounds to check the strength of the crystal packing. Furthermore, a state-of-the-art dual computational technique consisting of quantum chemical and molecular docking methods is used to shed light on the molecular structure, optoelectronic properties, and bioactivity of indigenously synthesized compounds. The optimized molecular geometries are compared with their counterpart experimental values. Based on previous reports of biofunctions of the indigenously synthesized imine derivatives, they are explored for their potential inhibition properties against two very crucial proteins (main protease (M pro ) and nonstructural protein 9 (NSP9)) of SARS-CoV-2. The calculated interaction energy values of DC2H and DM4H with M pro are found to be −6.3 and −6.6 kcal/mol, respectively, and for NSP9, the calculated interaction energy value is found to be −6.5 kcal/mol. We believe that the current combined study through experiments and computational techniques will not only pique the interest of the broad scientific community but also evoke interest in their further in vitro and in vivo investigations.
Herein, we report
a new application of β-nitroenones
as valuable
building blocks for the preparation of polyfunctionalized homoallylic
alcohols; they can be used as key precursors of conjugated nitrotriene
systems. The synthesis of homoallylic alcohols was performed exploiting
the chemoselective addition of metal allylating agents to the ketone
moiety vs the nitroalkenyl group. The conversion of alcohols into
nitrotrienes was achieved under Lewis-acid-promoted conditions. Both
classes of compounds were obtained in good to excellent yields.
Herein, we present a new one-pot preparation of 3,6-disubstituted pyridazines starting from β-nitro-β,γ-unsaturated ketones and hydrazine monohydrate. The protocol entails two sequential steps, leading to the isolation of the title targets in satisfactory overall yields and tolerated a good variety of additional functionalities.
scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.