New discoveries in chemical research and development in 2021. 40138-16-7, Name is (2-Formylphenyl)boronic acid, molecular formula is C7H7BO3, Category: naphthyridines, belongs to naphthyridine compound, is a common compound. In a patnet, author is Jin, Qiuyan, once mentioned the new application about 40138-16-7.
Gas-phase ion trap mass spectrometry experiments and density functional theory calculations have been used to examine the routes to the formation of the 1,8-naphthyridine (napy) ligated geminally dimetallated phenyl complexes [(napy)Cu-2(Ph)](+), [(napy)Ag-2(Ph)](+) and [(napy)CuAg(Ph)](+) via extrusion of CO2 or SO2 under collision-induced dissociation conditions from their corresponding precursor complexes [(napy)Cu-2(O2CPh)](+), [(napy)Ag-2(O2CPh)](+), [(napy)CuAg(O2CPh)](+) and [(napy)Cu-2(O2SPh)](+), [(napy)Ag-2(O2SPh)](+), [(napy)CuAg(O2SPh)](+). Desulfination was found to be more facile than decarboxylation. Density functional theory calculations reveal that extrusion proceeds via two transition states: TS1 enables isomerization of the O,O-bridged benzoate to its O-bound form; TS2 involves extrusion of CO2 or SO2 with the concomitant formation of the organometallic cation and has the highest barrier. Of all the organometallic cations, only [(napy)Cu-2(Ph)](+) reacts with water via hydrolysis to give [(napy)Cu-2(OH)](+), consistent with density functional theory calculations which show that hydrolysis proceeds via the initial formation of the adduct [(napy)Cu-2(Ph)(H2O)](+) which then proceeds via TS3 in which the coordinated H2O is deprotonated by the coordinated phenyl anion to give the product complex [(napy)Cu-2(OH)(C6H6)](+), which then loses benzene.
Future efforts will undeniably focus on the diversification of the new catalytic transformations. In my other articles, you can also check out more blogs about 40138-16-7. Category: naphthyridines.
Reference:
1,8-Naphthyridine – Wikipedia,
,1,8-Naphthyridine | C8H6N2 – PubChem