Data from: Enantioselective and regiodivergent skeletal transformations of 1,2,3-thiadiazoles to alkylidene dihydrothiophenes
Data files
Jul 29, 2025 version files 142.73 MB
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NMR_raw_files.zip
142.73 MB
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README.md
1.52 KB
Abstract
By leveraging the Rh-catalyzed asymmetric skeletal editing of 1,2,3-thiadiazoles, we successfully achieve the ligand-controlled enantioselective and regiodivergent synthesis of structurally diverse 2- and 3-alkylidene 2,3-dihydrothiophenes. Late-stage structural editing of complex natural and drug molecules is also enabled.
Dataset DOI: 10.5061/dryad.sxksn03dz
Description of the data and file structure
The zip file contains raw NMR data for the new compounds published in Organic Letters 2025, 27, 4337-4342.
Including 1H and 13C NMR of the compounds 1s-1z, 2F, 2K-2M, 3aA-3aN, 3bO, 3bH, 3bA-3zA, 4aA, 4aB, 4aD, 4aE, 4bA, 4bH, 4cA, 4dA, 4gA, 4hA, 4jA, 4kA, 4lA, 5, 6, 7a-7g, 8aA-8gA, 9aA, 9bA, 11; 1H NMR of the compound 10 and 19F NMR of the compounds 2F and 3aF.
NMR: Nuclear Magnetic Resonance
They can be used with MestReNova or Topspin software.
Files and variables
File: NMR raw files.zip
Description: NMR raw files. The folders are named in the format "NMR of 'Compound Number' ". Both .mnova and .fid files are provided.
Each of folders contains subfolders for 1H NMR files, 13C NMR files, and 19F NMR files if optional.
All data were collected in a Bruker 400 MHz NMR equipment.
Code/software
MestReNova, Topspin.
The spectra in a pdf file can be found in the Supporting Information that is available free of charge at https://pubs.acs.org/doi/10.1021/acs.orglett.5c01067, and they can be directly viewed without an NMR software.
Access information
Other publicly accessible locations of the data:
- No applicable.
Data was derived from the following sources:
- No applicable.