Organophotocatalytic functionalization of 3,4-dihydroquinoxalin-2-ones with isoxazol-5-amines using visible light
Data files
Jan 08, 2026 version files 49.60 MB
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compound_3aa.zip
1.54 MB
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compound_3ab.zip
1.52 MB
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compound_3ac.zip
1.51 MB
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compound_3ad.zip
2.39 MB
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compound_3ae.zip
1.54 MB
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compound_3af.zip
1.52 MB
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compound_3ag.zip
1.51 MB
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compound_3ah.zip
1.50 MB
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compound_3ai.zip
2.16 MB
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compound_3aj.zip
3.91 MB
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compound_3ak.zip
1.52 MB
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compound_3al.zip
1.53 MB
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compound_3am.zip
1.28 MB
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compound_3bb.zip
2.42 MB
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compound_3cb.zip
1.52 MB
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compound_3db.zip
1.53 MB
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compound_3eb.zip
1.51 MB
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compound_3fb.zip
1.52 MB
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compound_3gb.zip
1.51 MB
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compound_3hb.zip
1.52 MB
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compound_3ib.zip
1.92 MB
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compound_3jb.zip
1.51 MB
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compound_3kb.zip
2.24 MB
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compound_3lb.zip
1.54 MB
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compound_3mb.zip
1.40 MB
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compound_3nb.zip
1.53 MB
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compound_3ob.zip
1.54 MB
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compound_4.zip
1.55 MB
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N-ethyl-N_3-dimethylisoxazol-5-amine_(2l).zip
1.43 MB
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README.md
3.16 KB
Abstract
An organophotocatalytic strategy for the functionalization of 3,4-dihydroquinoxalin-2-ones with isoxazol-5-amines is reported. Using commercially available organophotocatalysts under visible light irradiation and mild reaction conditions, a series of 22 derivatives have been synthesized. This process was also scaled up to 1 mmol, revealing the formation of an isoxazol-2-one derivative as byproduct. The mechanism of this transformation has also been investigated through steady-state luminescence quenching experiments, among other techniques.
The dataset contains 1H NMR, 13C NMR and DEPT spectra for the new compounds prepared in the associated manuscript.
1H NMR, 13C NMR and DEPT spectra are used to describe the structure of all new compounds prepared in the publication: Organophotocatalytic Functionalization of 3,4-Dihydroquinoxalin-2-ones with Isoxazol-5-amines using Visible Light
Description of the data and file structure
Data for each compound are included in a folder named with the compound number designated in the manuscript and/or SI, as “compound number.zip”:
- N-ethyl-N_3-dimethylisoxazol-5-amine_(2l).zip
- compound_3aa.zip
- compound_3ab.zip
- compound_3ac.zip
- compound_3ad.zip
- compound_3ae.zip
- compound_3af.zip
- compound_3ag.zip
- compound_3ah.zip
- compound_3ai.zip
- compound_3aj.zip
- compound_3ak.zip
- compound_3al.zip
- compound_3am.zip
- compound_3bb.zip
- compound_3cb.zip
- compound_3db.zip
- compound_3eb.zip
- compound_3fb.zip
- compound_3gb.zip
- compound_3hb.zip
- compound_3ib.zip
- compound_3jb.zip
- compound_3kb.zip
- compound_3lb.zip
- compound_3mb.zip
- compound_3nb.zip
- compound_3ob.zip
- compound_4.zip
Each ZIP folder now explicitly indicates that it contains two or three sub-folders corresponding to the NMR experiments performed for the compound listed in the file name. These sub-folders include data for ¹H NMR (named “1H”), ¹³C NMR (named “13C”), ¹⁹F NMR (named “19F”, when available), and DEPT (named “DEPT”) spectra.
Each experiment sub-folder contains the raw NMR data (fid files), along with additional files related to acquisition parameters, processing parameters, and spectrum data. The processed files with the .fid or .mnova extension are ready to be opened and analyzed using licensed NMR software such as NMRViewJ or MestReNova.
In addition, JCAMP-DX formatted files are provided within each experiment sub-folder to ensure easy and open access to the data. These files, with the .jcamp extension, represent the final processed spectra and can be viewed and further processed using unlicensed or freely available tools such as JSpecView, ACD/Labs NMR Processor, or online viewers like NMRium. The JCAMP files are clearly named as “1H compound.jcamp”, “13C compound.jcamp”, “19F compound.jcamp” (when available), and “DEPT compound.jcamp”.
This separation is intended to make the data immediately accessible to non-specialist users through the JCAMP files, while also providing a clear pathway for more experienced users to access and reanalyze the raw data.
Abbreviations used are as follows:
NMR: nuclear magnetic resonance
SI: supporting information (meaning, Supplementary Materials document)
Sharing/access Information
NMR data will be available as images in the SI for this manuscript at https://doi.org/10.1021/acs.joc.5c02592.
Code/Software
Processed files with extension .fid are ready to be viewed in NMRViewJ or MestReNova.
Files with extension .jcamp can be readed and processed with unlicensed software such as JSpecView, ACD/Labs NMR Processor or free online viewers such as NMRium.