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

被引：1

作者：

Celik, Fatih ^{[1
]}

Suleymanoglu, Nevin ^{[2
]}

Ustabas, Resat ^{[3
]}

Bektas, Ersan ^{[4
]}

Unver, Yasemin ^{[1
]}

机构：

[1] Karadeniz Tech Univ, Fac Sci, Dept Chem, TR-61080 Trabzon, Turkiye

[2] Gazi Univ, Grad Sch Nat & Appl Sci, Adv Technol, TR-06500 Ankara, Turkiye

[3] Ondokuz Mayis Univ, Educ Fac, Dept Math & Sci Educ, TR-55139 Samsun, Turkiye

[4] Giresun Univ, Espiye Vocat Sch, TR-26800 Giresun, Turkiye

来源：

RUSSIAN JOURNAL OF PHYSICAL CHEMISTRY A | 2023年 / 97卷 / 05期

基金：

英国科研创新办公室;

关键词：

carbazole; FTIR and NMR spectroscopy; DFT calculations; acetylcholinesterase inhibitory activity; BIOLOGICAL EVALUATION; SCHIFF-BASES; FT-IR; CARBAZOLE; DERIVATIVES; HYBRIDS; RAMAN; NMR;

D O I：

10.1134/S0036024423050096

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

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.

引用

页码：981 / 988

页数：8

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