Insights into Cytochrome P450 Enzyme Catalyzed Defluorination of Aromatic Fluorides.
Angew Chem Int Ed Engl
; 62(42): e202310785, 2023 Oct 16.
Article
em En
| MEDLINE
| ID: mdl-37641517
ABSTRACT
Density functional calculations establish a novel mechanism of aromatic defluorination by P450 Compound I. This is achieved via either an initial epoxide intermediate or through a 1,2-fluorine shift in an electrophilic intermediate, which highlights that the P450s can defluorinate fluoroarenes. However, in the absence of a proton donor a strong Fe-F bond can be obtained as shown from the calculations.
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Coleções:
01-internacional
Base de dados:
MEDLINE
Idioma:
En
Revista:
Angew Chem Int Ed Engl
Ano de publicação:
2023
Tipo de documento:
Article