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), 61(24), e202116108. (doi: 10.1002/anie.202116108) (PMID:35257447)
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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 |
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Status: | Published |
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) 61(24): e202116108 |
Publisher Policy: | Reproduced under a Creative Commons License |
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