Demissie, Taye B. published the artcileMechanism and Site Selectivity in Visible-Light Photocatalyzed C-H Functionalization: Insights from DFT Calculations, Recommanded Product: Imidazo[1,2-c]pyrimidine, the main research area is selectivity visible photocatalyzed carbon hydrogen functionalization DFT.
Visible-light photocatalyzed (VLPC) late-stage C-H functionalization is a powerful addition to the chem. synthesis toolkit. VLPC has a demonstrated potential for discovery of elusive and valuable transformations, particularly in functionalization of bioactive heterocycles. To fully harvest the potential of VLPC in the context of complex mol. synthesis, a thorough understanding of the elementary processes involved is crucial. This would enable more rational design of suitable reagents and catalysts, as well as prediction of activated C-H sites for functionalization. Such knowledge is essential when VLPC is to be employed in retrosynthetic anal. of complex mols. Herein, the authors present a d. functional theory (DFT) study of mechanistic details in the C-H functionalization of bioactive heterocycles exemplified by the methylation of the antifungal agent voriconazole. Also, readily computed at. charges can predict major site-selectivity in good agreement with exptl. studies and thus be informative tools for the identification of active C-H functionalization sites in synthetic planning.
Journal of Organic Chemistry published new progress about C-C bond cleavage. 274-78-2 belongs to class imidazoles-derivatives, name is Imidazo[1,2-c]pyrimidine, and the molecular formula is C6H5N3, Recommanded Product: Imidazo[1,2-c]pyrimidine.
Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem