Title: Iron-catalyzed methylation using the borrowing hydrogen approach

Polidano K, Allen BDW, Williams JMJ, et al. (2018). Iron-catalyzed methylation using the borrowing hydrogen approach. Cardiff University. http://doi.org/10.17035/d.2018.0051041048

This data is not currently available because: Intent to publish project results
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: 2018
Data format: .txt, .inmr, .info, .par, .xml, .pdf, .temp, .back, .jpg, .ispd
Software Required: An appropriate NMR processing software is required for raw NMR data files
Estimated total storage size of dataset: Less than 1 gigabyte
Number of Files In Dataset: 4787
DOI: 10.17035/d.2018.0051041048


A general iron-catalyzed methylation has been developed using methanol as a sustainable C1 building block. This borrowing hydrogen approach employs a Knölker-type (cyclopentadienone)iron carbonyl complex as catalyst (2 mol %) and exhibits a broad reaction scope. A variety of ketones, indoles, oxindoles, amines and sulfonamides undergo mono- or dimethylation in excellent isolated yields (>60 examples, 79% average yield).

Analysis of reaction products from this methodology resulted in the following data:

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

IR spectra

High resolution mass spectrometry spectra.   

Research results based upon these data are published at http://dx.doi.org/10.1021/acscatal.8b02158

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