NMR Data – Concise Synthesis of the Click-to-Release Linker iTCO Enabled by Telescoped Flow Photohydrolysis and Iodolactonization

Context and methodology

This dataset was generated within a research project developing a concise and scalable synthetic route to iTCO, an intramolecularly controlled click-cleavable trans-cyclooctene linker for tetrazine-triggered bioorthogonal payload release. The associated manuscript describes the scientific background, synthetic strategy, and development and scale-up of the key flow photohydrolysis-iodolactonization sequence, while the Supporting Information provides detailed experimental procedures and analytical characterization.

The purpose of this dataset is to provide the raw NMR spectroscopy data underlying the structural characterization of the compounds described in the associated manuscript and Supporting Information. The data were generated using standard NMR spectroscopy methods as part of the characterization of intermediates and products obtained during the synthesis of iTCO.

Technical details

The dataset consists of raw NMR spectroscopy data provided in their original instrument format. The data are organized by compound, with assignment to the corresponding compounds and experiments provided through the file and folder names and the compound numbering used in the associated manuscript and Supporting Information.

The raw data allow independent processing and analysis using standard NMR spectroscopy software such as Mnova or TopSpin. Additional information required for interpretation of the deposited data, including molecular structures, compound numbering, experimental procedures and conditions, and analytical characterization, is provided in the associated manuscript and Supporting Information.

Further details

The data are suitable for independent inspection and reanalysis of the NMR spectroscopic characterization and for reuse in comparative or methodological studies, provided that appropriate attribution is given.