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Functionalized 4-hydroxy coumarins: Novel synthesis, crystal structure and DFT calculations

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Functionalized 4-hydroxy coumarins: Novel synthesis, crystal structure and DFT calculations (EN)
Melagraki, G (EN)
McKee, V (EN)
Matiadis, D (EN)
Markopoulos, J (EN)
Stefanou, V (EN)
Igglessi-Markopoulou, O (EN)
Afantitis, A (EN)
Athanasellis, G (EN)
journalArticle (EN)
2014-03-01T01:35:45Z
2011 (EN)
A novel short-step methodology for the synthesis in good yields of functionalized coumarins has been developed starting from an activated precursor, the N-hydroxysuccinimide ester of O-acetylsalicylic acid. The procedure is based on a tandem C-acylation-cyclization process under mild reaction conditions. The structure of 3-methoxycarbonyl-4-hydroxy coumarin has been established by X-ray diffraction analysis and its geometry was compared with optimized parameters by means of DFT calculations. © 2010 by the authors. (EN)
Chemistry, Organic (EN)
chemistry (EN)
synthesis (EN)
Magnetic Resonance Spectroscopy (EN)
C-acylation (EN)
quantum theory (EN)
Coumarins (EN)
nuclear magnetic resonance spectroscopy (EN)
Models, Molecular (EN)
Crystallography, X-Ray (EN)
N-hydrocysuccinimide ester (EN)
coumarin derivative (EN)
article (EN)
Quantum Theory (EN)
DFT (EN)
Cyclization (EN)
X ray crystallography (EN)
β,β'-dicarbonyl system (EN)
chemical structure (EN)
Molecular Structure (EN)
Molecules (EN)
English
MDPI AG (EN)
National Technical University of Athens
Digital Library of National Technical University of Athens | Dspace@NTUA
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