New Type of Ferrocene‐Betulonic Acid Hybrids. Bioactivity, Synthesis, Structure, IR and CD versus DFT Calculations DOI
L. V. Snegur,

M. V. Kaverin,

Yurii A. Borisov

et al.

ChemistrySelect, Journal Year: 2024, Volume and Issue: 9(36)

Published: Sept. 1, 2024

Abstract Ferrocene‐modified natural compounds are of interest for the development new pharmaceuticals due to improved bioavailability, increased bioactivity, and also as redox markers or vectors. Betulin is a plant‐derived product with wide range pharmacological properties. However, it limited in its bioavailability efficacy. In order enhance profile, ferrocene modification betulin was used this study. A hybrid core (up 30 % birch bark) moiety combined through piperazine linker (compound 12 ) prepared good yield from readily available carboxylic acid betulonic acid, derivative, via coupling reactions. Spectroscopic techniques, including 1 H 13 C NMR, IR UV‐vis spectroscopy, well circular dichroism (CD), were applied characterize physicochemical chiroptical The cytotoxicity synthesized precursor on MCF‐7 human cancer cell lines vitro evaluated by MTT assay. IC 50 index found be 26 μM. theoretically calculated energies HOMO‐LUMO orbitals electronic characteristics 10 , 11 ferrocenyl determined DFT method functionals ωB97XD, LC‐ωPBE B3LYP‐D3 pure M06 L functionals, 6‐311+G(d), 6‐31G(d) TZV basis set.

Language: Английский

Ultrasound-enhanced A3 coupling: Ferrocene-infused ionic liquid on silica nanospheres for efficient Quinoline derivatives synthesis DOI

Ahmad Sajjadi,

Suranjana V. Mayani, Suhas Ballal

et al.

Tetrahedron, Journal Year: 2025, Volume and Issue: unknown, P. 134633 - 134633

Published: April 1, 2025

Language: Английский

Citations

0
Ferrocene amines and ferrocene amides with aliphatic and aromatic moieties as potential antioxidants: DFT calculations and predictions versus natural antioxidants DOI

Yurii A. Borisov,

С. С. Киселев,

M. V. Kaverin

et al.

Computational and Theoretical Chemistry, Journal Year: 2025, Volume and Issue: unknown, P. 115257 - 115257

Published: April 1, 2025

Language: Английский

Citations

0
SiO2@Benzothiazole‐Cl@Fc as an Efficient Heterogeneous Catalyst for the Synthesis of 1,3,5‐Trisubstituted Pyrazoles by A3 Coupling DOI Creative Commons
Fadhil Faez Sead, Vicky Jain,

R Roopashree

et al.

ChemistryOpen, Journal Year: 2025, Volume and Issue: unknown

Published: May 13, 2025

This research introduces the preparation and analysis of a newly heterogeneous catalyst developed silica nanospheres supporting ferrocene‐containing ionic liquid (IL) (SiO 2 @Benzothiazole‐Cl@Fc) for A3 coupling reaction. The facilitates efficient synthesis 1,3,5‐trisubstituted pyrazoles from aromatic hydrazides, aldehydes, alkynes. Incorporating ferrocene enhances catalytic activity. Comprehensive characterization techniques, including NMR, Fourier transform infrared, transmission electron microscopy, energy‐dispersive X‐ray spectroscopy, scanning confirm successful functionalization nanospheres. performance was evaluated under various reaction conditions, demonstrating high yields selectivity desired pyrazole products. work highlights potential ferrocene‐based ILs in green chemistry applications, providing sustainable approach to synthesizing valuable heterocyclic compounds.

Language: Английский

Citations

0
New Type of Ferrocene‐Betulonic Acid Hybrids. Bioactivity, Synthesis, Structure, IR and CD versus DFT Calculations DOI
L. V. Snegur,

M. V. Kaverin,

Yurii A. Borisov

et al.

ChemistrySelect, Journal Year: 2024, Volume and Issue: 9(36)

Published: Sept. 1, 2024

Abstract Ferrocene‐modified natural compounds are of interest for the development new pharmaceuticals due to improved bioavailability, increased bioactivity, and also as redox markers or vectors. Betulin is a plant‐derived product with wide range pharmacological properties. However, it limited in its bioavailability efficacy. In order enhance profile, ferrocene modification betulin was used this study. A hybrid core (up 30 % birch bark) moiety combined through piperazine linker (compound 12 ) prepared good yield from readily available carboxylic acid betulonic acid, derivative, via coupling reactions. Spectroscopic techniques, including 1 H 13 C NMR, IR UV‐vis spectroscopy, well circular dichroism (CD), were applied characterize physicochemical chiroptical The cytotoxicity synthesized precursor on MCF‐7 human cancer cell lines vitro evaluated by MTT assay. IC 50 index found be 26 μM. theoretically calculated energies HOMO‐LUMO orbitals electronic characteristics 10 , 11 ferrocenyl determined DFT method functionals ωB97XD, LC‐ωPBE B3LYP‐D3 pure M06 L functionals, 6‐311+G(d), 6‐31G(d) TZV basis set.

Language: Английский

Citations

1