1,3-Bis(((E)-(9-ethyl-9H-carbazol-3-yl)methylene)amino)propan-2-ol: Synthesis, Characterization DFT Study, and Acetylcholinesterase Inhibitory Activity

ÇELİK F., SÜLEYMANOĞLU N., Ustabaş R., Bektaş E., ÜNVER Y.

RUSSIAN JOURNAL OF PHYSICAL CHEMISTRY A, vol.97, no.5, pp.981-988, 2023 (SCI-Expanded) identifier identifier

  • Publication Type: Article / Article
  • Volume: 97 Issue: 5
  • Publication Date: 2023
  • Doi Number: 10.1134/s0036024423050096
  • Journal Name: RUSSIAN JOURNAL OF PHYSICAL CHEMISTRY A
  • Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED), Scopus, Aquatic Science & Fisheries Abstracts (ASFA), Chemical Abstracts Core, Compendex
  • Page Numbers: pp.981-988
  • Keywords: acetylcholinesterase inhibitory activity, carbazole, DFT calculations, FTIR and NMR spectroscopy
  • Karadeniz Technical University Affiliated: Yes

Abstract

The carbazole derivative, 1,3-bis(((E)-(9-ethyl-9H-carbazol-3-yl)methylene)amino)propan-2-ol (compound I), was synthesized and its molecular structure was verified by FTIR and NMR (C-13 and H-1) spectroscopy. The theoretical study of compound I was carried out by DFT/B3LYP/6-311++G(d,p) method. In calculations, the molecular structure, IR and NMR data, MEP map and FMOs (HOMO and LUMO) of compound I were obtained. IR and NMR data were compared with experimental ones. Results show that theoretical data confirm the molecular structure of compound I. The in vitro anti-acetylcholinesterase activity of title compound was performed by Ellman's spectrophotometric method with some modifications.