Pregled bibliografske jedinice broj: 1145107
C6-SUBSTITUENT EFFECT ON THE REGIOSELECTIVITY OF PURINE ACYLATION
C6-SUBSTITUENT EFFECT ON THE REGIOSELECTIVITY OF PURINE ACYLATION // The 18th European Symposium on Organic Reactivity (ESOR2021)
Amsterdam, Nizozemska, 2021. (poster, međunarodna recenzija, neobjavljeni rad, znanstveni)
CROSBI ID: 1145107 Za ispravke kontaktirajte CROSBI podršku putem web obrasca
Naslov
C6-SUBSTITUENT EFFECT ON THE REGIOSELECTIVITY OF
PURINE ACYLATION
Autori
Toma, Mateja ; Vrček, Valerije
Vrsta, podvrsta i kategorija rada
Sažeci sa skupova, neobjavljeni rad, znanstveni
Skup
The 18th European Symposium on Organic Reactivity (ESOR2021)
Mjesto i datum
Amsterdam, Nizozemska, 21.09.2021. - 23.09.2021
Vrsta sudjelovanja
Poster
Vrsta recenzije
Međunarodna recenzija
Ključne riječi
ferrocene, purine, regioselectivity, NMR, DFT
Sažetak
C6-substituent on the purine ring effects the N7/N9 ratio of the products during purine ferrocenoylation. Higher the Chartons’ steric parameter, higher the portion of the N9 regioisomer in the reaction. Quantum-chemical calculation correlates calculated activation energies (for N7-product) with the ratio of N7 product. This sugests that the bulkier substituent inhibits the acylation of N7 position and leads to regiospecificity in N9-isomer formation. Still, in some cases the steric effects do not explain the observed regiospecificity, so the electronic effect of the substituent must be considered.
Izvorni jezik
Engleski
Znanstvena područja
Kemija, Farmacija
POVEZANOST RADA
Projekti:
HRZZ-IP-2016-06-1137 - Kvantno-kemijski dizajn, priprava i biološka svojstva organometalnih derivata nukleobaza (OrDeN) (Vrček, Valerije, HRZZ - 2016-06) ( CroRIS)
Ustanove:
Farmaceutsko-biokemijski fakultet, Zagreb
