Spectroscopic dataset of Hedione's derivatives gathered during process development

Area of Science:

• Organic Chemistry
• Spectroscopy
• Fragrance Chemistry

Background:

• Hedione is a significant fragrance ingredient.
• The synthesis of Hedione involves key intermediates like Dehydrohedione.
• Efficient preparative methods are crucial for fragrance compound production.

Purpose of the Study:

• To present a dataset of spectroscopic analyses for Hedione synthesis.
• To support the development of a preparative method for Dehydrohedione.
• To facilitate the synthesis of cis-Hedione.

Main Methods:

• Proton, Carbon-13, and Fluorine-19 Nuclear Magnetic Resonance (NMR) spectroscopy.
• Infrared (IR) spectroscopy.
• Accurate mass spectrometry.

Main Results:

• Comprehensive spectroscopic data acquired for starting materials, intermediates, and products.
• Detailed NMR, IR, and mass spectrometry data were obtained.
• The dataset covers analyses performed between October 2020 and September 2021.

Conclusions:

• The presented spectroscopic dataset is valuable for the synthesis of Dehydrohedione.
• This data aids in optimizing the preparative route to cis-Hedione.
• The findings contribute to the field of fragrance ingredient synthesis.