Chemistry, like all the natural sciences, Product Details of 40138-16-7, begins with the direct observation of nature— in this case, of matter.40138-16-7, Name is (2-Formylphenyl)boronic acid, SMILES is O=CC1=CC=CC=C1B(O)O, belongs to naphthyridine compound. In a document, author is Jin, Qiuyan, introduce the new discover.
Formation and reactions of the 1, 8-naphthyridine (napy) ligated geminally dimetallated phenyl complexes [(napy)Cu-2(Ph)](+), [(napy)Ag-2(Ph)](+) and [(napy)CuAg(Ph)](+)
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.
Note that a catalyst decreases the activation energy for both the forward and the reverse reactions and hence accelerates both the forward and the reverse reactions. you can also check out more blogs about 40138-16-7. Product Details of 40138-16-7.
Reference:
1,8-Naphthyridine – Wikipedia,
,1,8-Naphthyridine | C8H6N2 – PubChem