Title: Data underpinning "N-Cyanation of Secondary Amines using Trichloroacetonitrile"

Ayres JN, Ling KB, Morrill LC (2016). Data underpinning "N-Cyanation of Secondary Amines using Trichloroacetonitrile". Cardiff University. http://doi.org/10.17035/d.2016.0011295237

Access Rights: Data can be made freely available subject to attribution
Access Method: Click to email a request for this data to opendata@cardiff.ac.uk

Cardiff University Dataset Creators

Dataset Details
Publisher: Cardiff University
Date (year) of data becoming publicly available: 2016
Data format: .txt, .inmr, .info, .par, .xml, .pdf, .temp, .back, .jpg, .ispd
Software Required: An appropriate NMR processing software is require for raw NMR data files.
Estimated total storage size of dataset: Less than 100 megabytes
Number of Files In Dataset: 1608
DOI: 10.17035/d.2016.0011295237


A one-pot N-cyanation of secondary amines has been developed using trichloroacetonitrile as an inexpensive cyano source. A diverse range of cyclic and acyclic secondary amines can be readily transformed into the corresponding cyanamides in good isolated yields, with the method successfully utilised in the final synthetic step of a biologically-active rolipram-derived cyanamide. This approach exhibits distinct selectivity when compared to the use of highly toxic cyanogen bromide.

Herein we include all underpinning data for this publication, including:

    1H, 19F and 13C NMR raw data files
    IR spectra
    HRMS spectra

Research results based upon these data are published at http://10.1021/acs.orglett.6b02775

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Last updated on 2019-05-07 at 09:28