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1H NMR, 13C NMR and computational studies of novel derivatives of substituted creatinines

✍ Scribed by Hanna Krawczyk; Agnieszka Pietras

Publisher
Elsevier Science
Year
2008
Tongue
English
Weight
163 KB
Volume
882
Category
Article
ISSN
0022-2860

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✦ Synopsis

Structural and energetic features of the intramolecular interaction of five products of 5-substituted creatinines with acetic anhydride or with (S)-(+)-2-methylbutyric anhydride were investigated using 1 H, 13 C NMR and DFT calculations. The alpha-cleavage of the C@O group with release of hydrogen was observed in MS-ESI spectra during the analysis of the novel compounds. During our experiments, unlike in reference data, we observed an intramolecular hydrogen bond in deuterated chloroform and gas phase of substituted creatinines.

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