DOI: 10.5061/dryad.rfj6q57pz
title: Organophotocatalytic functionalization of 3,4-dihydroquinoxalin-2-ones with isoxazol-5-amines using visible light

description: 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.
description: # Data from: Organophotocatalytic Functionalization of
 3,4-Dihydroquinoxalin-2-ones with Isoxazol-5-amines using Visible Light 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](https://doi.org/10.1021/acs.joc.5c02592 "DOI URL"). ### 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.