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Synthesis and NMR spectral assignments of novel 1,4-benzothiazepine-5-one derivatives |
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| Authors: | Matteo Incerti Peter Sandor |
| Affiliation: | a Dipartimento Farmaceutico, Università degli Studi di Parma, Viale G.P. Usberti 27/A, Parma 43100, Italy b Centro Interdipartimentale Misure ‘Giuseppe Casnati’, Università degli Studi di Parma, Viale G.P. Usberti 23/A, Parma 43100, Italy c Applications Laboratory Magnetic Resonance Systems, Varian Deutschland GmbH, Bad Nauheimer Str. 21, 64289 Darmstadt, Germany |
| Abstract: | The one-pot reaction between 2-aminobenzo[d]isothiazol-3-one and alkyl propiolates in presence of triphenylphosphine leads to the corresponding alkyl 4-amino-5-oxobenzo[f][1,4]thiazepine-3-carboxylates. A plausible mechanism of the reaction is proposed and unambiguous evidence for the structures is obtained from a detailed magnetic resonance spectral analysis. 1D and 2D NMR spectra such as COSY, 1H-13C and 1H-15N HSQC and HMBC heteronuclear correlations and an INADEQUATE experiment are reported and discussed. |
| Keywords: | 2D NMR gHSQC gHMBC INADEQUATE 1H, 13C, 15N NMR Alkyl 4-amino-5-oxobenzo[f][1,4]thiazepine-3-carboxylates Heterocyclic ring expansion One-pot reaction |
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