التفاصيل البيبلوغرافية
| العنوان: |
SB‐2 cationic resin: an efficient and reusable organocatalyst for the synthesis of α‐aminophosphonates, DFT calculations and, computer aided design in antifungal activity. |
| المؤلفون: |
Touil, Nourhane, Guezane‐Lakoud, Samia, Boukachabia, Mourad, Haffas, Maamar |
| المصدر: |
ChemistrySelect; 2/5/2024, Vol. 9 Issue 5, p1-14, 14p |
| مصطلحات موضوعية: |
COMPUTER-aided design, ANTIFUNGAL agents, VORICONAZOLE, GIBBS' free energy, GROUND state energy, AROMATIC aldehydes |
| مستخلص: |
SB‐2 cationic resin has been employed as an unexpected and reusable heterogeneous organocatalyst in multicomponents reaction for the synthesis of the α‐aminophosphonates derivatives that act as antifungal agents, this reaction proceeds under eco‐friendly and simple procedure by condensation in one pot of substituted aromatic aldehydes, anilines and diethylphosphite. Excellent isolated product yields are obtained (up to 70 %) for (4 a–o) within shorter reaction times in solvent‐free condition. The synthesized compounds were determined by spectroscopic analyses such as: NMR (1H, 13C and 31P), IR and HRMS.Molecular geometries, electronic properties, stability and reactivity such as: HOMO/LUMO, ΔEGAP ${{{\rm \Delta }{\rm E}}_{{\rm G}{\rm A}{\rm P}}}$ , dipole moment (6.1308
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