A New Synthetic Route for Preparation of 5-Methyl-5-Benzylhydantoin: X-Ray Analysis and Theoretical Calculations

The aim of this study was to use a different synthetic route for the preparation of 5-methyl-5-benzyl hydantoin by modifying the Bucherer–Berg reaction. This different route for the synthesis led to improvement in reaction time, purity of the compound, and practical yield. The synthesized compound w...

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Bibliographic Details
Main Authors: Emiliya Cherneva, Rossen Buyukliev, Boris Shivachev, Rusi Rusew, Adriana Bakalova
Format: Article
Language:English
Published: MDPI AG 2025-01-01
Series:Molbank
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Online Access:https://www.mdpi.com/1422-8599/2025/1/M1956
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Summary:The aim of this study was to use a different synthetic route for the preparation of 5-methyl-5-benzyl hydantoin by modifying the Bucherer–Berg reaction. This different route for the synthesis led to improvement in reaction time, purity of the compound, and practical yield. The synthesized compound was characterized spectroscopically by IR, <sup>1</sup>H, <sup>13</sup>C NMR, and mass spectrometry. The X-ray diffraction method was used to determine the chemical structure. The experimental data from X-ray analysis were compared with theoretically calculated data by DFT analysis.
ISSN:1422-8599