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Spectroscopic dataset of Hedione's derivatives gathered during process development

Sharley, James S.; Gambacorta, Guido; Pérez, Ana María Collado; Ferri, Estela Espinos; Miranda, Amadeo Fernandez; Quesada, Jorge Sanchez; Baxendale, Ian R.

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Authors

James S. Sharley

Guido Gambacorta

Ana María Collado Pérez

Estela Espinos Ferri

Amadeo Fernandez Miranda

Jorge Sanchez Quesada



Abstract

The dataset of spectroscopic analysis performed on starting materials, intermediates, and products relating to the synthesis of Hedione are hereby presented. The data were acquired in Durham university during the period between October 2020 and September 2021 for the development of a preparative method to Dehydrohedione. The latter is a key intermediate for the synthesis of cis-Hedione, an important fragrance ingredient. Proton, Carbon-13, and Fluorine-19 Nuclear magnetic resonance of the compounds were recorded employing a Varian 600 MHz, and a Bruker Avance-400 instrument. The IR spectra were recorded in a Perkin Elmer Spectrum Two UATR Two FT-IR and the accurate mass employing a Waters QtoF premier as mass spectrometer.

Citation

Sharley, J. S., Gambacorta, G., Pérez, A. M. C., Ferri, E. E., Miranda, A. F., Quesada, J. S., & Baxendale, I. R. (2023). Spectroscopic dataset of Hedione's derivatives gathered during process development. Data in Brief, 46, https://doi.org/10.1016/j.dib.2022.108801

Journal Article Type Article
Acceptance Date Nov 28, 2022
Online Publication Date Dec 13, 2022
Publication Date 2023-02
Deposit Date Jan 5, 2023
Publicly Available Date Jan 5, 2023
Journal Data in Brief
Publisher Elsevier
Peer Reviewed Peer Reviewed
Volume 46
DOI https://doi.org/10.1016/j.dib.2022.108801

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