A practical approach to combine modular reactions and reactionware for the digitization of chemical synthesis

Bubliauskas, A., Blair, D. J., Powell-Davies, H., Kitson, P. J., Burke, M. and Cronin, L. (2022) A practical approach to combine modular reactions and reactionware for the digitization of chemical synthesis. Angewandte Chemie (International Edition), (doi: 10.1002/anie.202116108) (PMID:35257447) (Early Online Publication)

[img] Text
266708.pdf - Published Version
Available under License Creative Commons Attribution.

7MB

Abstract

Chemistry digitization requires an unambiguous link between experiments and the code used to generate the experimental conditions and outcomes, yet this process is not standardized, limiting the portability of any chemical code. What is needed is a universal approach to aid this process using a well-defined standard that is composed of syntheses that are employed in modular hardware. Herein we present a new approach to the digitization of organic synthesis that combines process chemistry principles with 3D printed reactionware. This approach outlines the process for transforming unit operations into digitized hardware and well-defined instructions that ensure effective synthesis. To demonstrate this, we outline the process for digitizing 3 MIDA boronate building blocks, an ester hydrolysis, a Wittig olefination, a Suzuki-Miyaura coupling reaction, and synthesis of the drug sulfanilamide.

Item Type:Articles
Status:Early Online Publication
Refereed:Yes
Glasgow Author(s) Enlighten ID:Kitson, Dr Philip and Powell-Davies, Henry and Bubliauskas, Mr Andrius and Cronin, Professor Lee
Authors: Bubliauskas, A., Blair, D. J., Powell-Davies, H., Kitson, P. J., Burke, M., and Cronin, L.
College/School:College of Science and Engineering > School of Chemistry
Journal Name:Angewandte Chemie (International Edition)
Publisher:Wiley
ISSN:1433-7851
ISSN (Online):1521-3773
Published Online:07 March 2022
Copyright Holders:Copyright © 2022 The Authors
First Published:First published in Angewandte Chemie (International Edition) 2022
Publisher Policy:Reproduced under a Creative Commons License

University Staff: Request a correction | Enlighten Editors: Update this record