One-Pot Synthesis and Computational Investigation of New Bioactive Chromene Derivatives

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dc.authoridKaya, Savas/0000-0002-0765-9751
dc.authoridShukla, Nutan/0000-0001-5379-5589
dc.contributor.authorBahe, A. K.
dc.contributor.authorMishra, A. K.
dc.contributor.authorKaya, S.
dc.contributor.authorErkan, S.
dc.contributor.authorShukla, N.
dc.contributor.authorKashaw, S.
dc.contributor.authorDas, R.
dc.date.accessioned2025-05-04T16:46:06Z
dc.date.available2025-05-04T16:46:06Z
dc.date.issued2024
dc.departmentSivas Cumhuriyet Üniversitesi
dc.description.abstract1,8-Diazabicyclo[5.4.0]undec-7-ene (DBU) was used as a mild and efficient catalyst for synthesis of various dihydropyrano[3,2-c]chromene-3-carboxylate derivatives via one-pot, three-component condensation of aromatic aldehydes, active methylene and 4-hydroxycoumarin in ethanol under reflux. The distinctive features of this process are mild reaction conditions, reusability of the reaction media, short reaction time, easy isolation of products and good yield. In addition, the effect of electron donating and withdrawing groups on the reactivity of chromene derivatives was investigated and evaluated by quantum chemical tools. For this purpose, the FMO analyses were performed and considered in terms of the new perspectives of the C-DFT. Also, the NBO analyses of the chromene derivatives were conducted to look for and compare the resonance and inductive effect on the possible reactivity behaviors.
dc.description.sponsorshipThe authors are thankful to the Department of Chemistry Dr. Harisingh Gour Central University, Sagar, for providing the necessary facilities to complete the work and to the SIC Dr. Harisingh Gour Central University, Sagar, for providing the instrumental facilities. The authors are also grateful to the Scientific and Technological Research Council of Turkey (TUBITAK). All quantum chemical calculations were performed at the High Performance and Grid Computing Center (TR-Grid e-Infrastructure).
dc.identifier.doi10.1134/S107036322408022X
dc.identifier.endpage2100
dc.identifier.issn1070-3632
dc.identifier.issn1608-3350
dc.identifier.issue8
dc.identifier.scopus2-s2.0-85205992972
dc.identifier.scopusqualityQ3
dc.identifier.startpage2088
dc.identifier.urihttps://doi.org/10.1134/S107036322408022X
dc.identifier.urihttps://hdl.handle.net/20.500.12418/35354
dc.identifier.volume94
dc.identifier.wosWOS:001328966500013
dc.identifier.wosqualityQ4
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.language.isoen
dc.publisherMaik Nauka/Interperiodica/Springer
dc.relation.ispartofRussian Journal of General Chemistry
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.snmzKA_WOS_20250504
dc.subjectDBU
dc.subjectaromatic aldehydes
dc.subjectactive methylene
dc.subject4-hydroxycoumarin
dc.subjectchromene derivatives
dc.subjectFMO analysis
dc.subjectNBO analysis
dc.titleOne-Pot Synthesis and Computational Investigation of New Bioactive Chromene Derivatives
dc.typeArticle

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