Baxendale GroupAdvanced synthetic chemistry, engineered for scaleDepartment of Chemistry

Research record

Publications

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Synthetic and heterocyclic chemistryRoute design and process chemistryFlow chemistry and reaction engineeringAutomation and analyticsPhotochemistryHazardous and reactive intermediatesImmobilised reagents and scavengers

14 publications found for Automation and analytics

Cover of PLoS Comput. Biol.
Graphical abstract for Protein domain-based prediction of drug/ compound-target interactions and experimental validation on LIM kinases

Journal article

Protein domain-based prediction of drug/ compound-target interactions and experimental validation on LIM kinases

Doğan, T.; Akhan, Güzelcan E.; Baumann, M.; Koyas, A.; Atas, H.; Baxendale, I. R; Martin, M.; Cetin-Atalay, R.

PLoS Comput. Biol. · 2021 · 17(11) · e1009171-1–34

Automation and analytics

Predictive approaches such as virtual screening have been used in drug discovery with the objective of reducing developmental time and costs. Current machine learning and networkbased approaches have issues related to generalization, usability, or model int…

Open DOIPDF
Cover of Org. Proc. Res. Dev.
Graphical abstract for Sustainable Flow Synthesis of a Versatile Cyclopentenone Building Block

Journal article

Sustainable Flow Synthesis of a Versatile Cyclopentenone Building Block

Baumann, M.; Baxendale, I. R.; Filipponi, P.; Hu, T.

Org. Proc. Res. Dev. · 2017 · 21 · 2052–2059

Synthetic and heterocyclic chemistryFlow chemistry and reaction engineeringAutomation and analytics

A flow based multistep processing sequence to reliably provide the delivery of a highly functional cyclopentenone is described. The exemplification of employing solid dosing of reagents and in-line aqueous extraction has enabled an integrated workflow in a hi…

Open DOIPDF
Cover of React. Chem. Eng.
Graphical abstract for Online quantitative mass spectrometry for the rapid adaptive optimisation of automated flow reactors

Journal article

Online quantitative mass spectrometry for the rapid adaptive optimisation of automated flow reactors

Holmes, N.; Akien, G. R.; Savage, R. J. D.; Stanetty, C.; Baxendale, I. R.; Blacker, A. J.; Taylor, B. A.; Woodward, R. L.; Meadows, R. E.; Bourne, R. A.

React. Chem. Eng. · 2016 · 1 · 96–100

Synthetic and heterocyclic chemistryRoute design and process chemistryFlow chemistry and reaction engineeringAutomation and analytics

An automated continuous reactor for the synthesis of organic compounds, which uses online mass spectrometry (MS) for reaction monitoring and product quantification, is presented. Quantitative and rapid MS monitoring was developed and calibrated using HPLC. Th…

Open DOIPDF
Cover of Beilstein J. Org. Chem.
Graphical abstract for The synthesis of active pharmaceutical ingredients (APIs)using continuous flow chemistry

Journal article

The synthesis of active pharmaceutical ingredients (APIs)using continuous flow chemistry

Baumann, M.; Baxendale, I. R.

Beilstein J. Org. Chem. · 2015 · 11 · 1194–1219

Synthetic and heterocyclic chemistryRoute design and process chemistryFlow chemistry and reaction engineeringAutomation and analytics

The implementation of continuous flow processing as a key enabling technology has transformed the way we conduct chemistry and has expanded our synthetic capabilities. As a result many new preparative routes have been designed towards commercially relevant …

Open DOIPDF
Cover of Chem. Sci.
Graphical abstract for Flow Chemistry Synthesis of Zolpidem, Alpidem and other GABAA Agonists and their Biological Evaluation through the use of In-line Frontal Affinity Chromatography

Journal article

Flow Chemistry Synthesis of Zolpidem, Alpidem and other GABAA Agonists and their Biological Evaluation through the use of In-line Frontal Affinity Chromatography

Guetzoyan, L.; Nikbin, N.; Baxendale, I. R.; Ley S. V.

Chem. Sci. · 2013 · 4 · 764–769

Synthetic and heterocyclic chemistryFlow chemistry and reaction engineeringAutomation and analytics

The flow of information between chemical and biological research can present a bottleneck in pharmaceutical research. Tools that bridge these disciplines and aid information exchange have therefore clear value. Over the last few years, both synthetic chemistr…

Open DOIPDF
Cover of Rapid Commun. Mass Spectrom.
Graphical abstract for Continuous flow reaction monitoring using an on-line miniature mass spectrometer

Journal article

Continuous flow reaction monitoring using an on-line miniature mass spectrometer

Browne, D. L.; Wright, S.; Deadman, B.; Dunnage, S.; Baxendale, I. R.; Turner, R.; Ley, S. V.

Rapid Commun. Mass Spectrom. · 2012 · 26 · 1999–2010

Flow chemistry and reaction engineeringAutomation and analyticsHazardous and reactive intermediates

A recently developed miniature electrospray ionisation mass spectrometer has been coupled to a preparative flow chemistry system in order to monitor reactive intermediates and competing reaction paths, screen starting materials, and optimise reaction conditio…

Open DOIPDF
Graphical abstract for The Evolution of Immobilized Reagents and their Application in Flow Chemistry for the Synthesis of Natural Products and Pharmaceutical Compounds

Book chapter

The Evolution of Immobilized Reagents and their Application in Flow Chemistry for the Synthesis of Natural Products and Pharmaceutical Compounds

Myers, R. M.; Roper, K. A.; Baxendale, I. R.; Ley, S. V.

Modern Tools for the Synthesis of Complex Bioactive Molecules · 2012 · Chapter 11 · 359–394

Synthetic and heterocyclic chemistryFlow chemistry and reaction engineeringAutomation and analyticsImmobilised reagents and scavengers

Underpinning a healthy drug discovery and development programme is the ability to prepare large numbers of structurally diverse molecules. Developing innovative practical chemical techniques to achieve this goal has therefore become essential. Indeed, the inc…

Cover of Org. Biomol. Chem.
Graphical abstract for A fully automated, multistep flow synthesis of 5-amino-4-cyano-1,2,3-triazoles

Journal article

A fully automated, multistep flow synthesis of 5-amino-4-cyano-1,2,3-triazoles

Smith, C. J.; Nikbin, N.; Ley, S. V.; Lange H.; Baxendale, I. R.

Org. Biomol. Chem. · 2011 · 9 · 1938–1947

Synthetic and heterocyclic chemistryAutomation and analyticsHazardous and reactive intermediates

Having demonstrated in the preceding publication the flow synthesis of aryl azides, we describe here a general protocol for the in-line purification of these versatile intermediates. As part of this investigation, we evaluated the use of ReactIR 45m as a tool…

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Cover of Chem. Eur. J.
Graphical abstract for Diastereoselective Chain Elongation Reactions Using Microreactors for Application in Complex Molecule Assembly

Journal article

Diastereoselective Chain Elongation Reactions Using Microreactors for Application in Complex Molecule Assembly

Carter, C. F.; Lange, H.; Daiki Sakai, D.; Baxendale, I. R.; Ley, S. V.

Chem. Eur. J. · 2011 · 17 · 3398–3405

Synthetic and heterocyclic chemistryFlow chemistry and reaction engineeringAutomation and analytics

Diastereoselective chain-elongation reactions are important transformations for the assembly of complex molecular structures, such as those present in polyketide natural products. Here we report new methods for performing crotylation reactions and homoproparg…

Open DOIPDF
Cover of Org. Biomol. Chem.
Graphical abstract for Flow synthesis of organic azides and the multistep synthesis of imines and amines using a new monolithic triphenylphosphine reagent

Journal article

Flow synthesis of organic azides and the multistep synthesis of imines and amines using a new monolithic triphenylphosphine reagent

Smith, C. J.; Nikbin, N.; Smith, C. D.; Ley, S. V.; Baxendale, I.R.

Org. Biomol. Chem. · 2011 · 9 · 1927–1937

Synthetic and heterocyclic chemistryFlow chemistry and reaction engineeringAutomation and analyticsHazardous and reactive intermediates

Here we describe general flow processes for the synthesis of alkyl and aryl azides, and the development of a new monolithic triphenylphosphine reagent, which provides a convenient format for the use of this versatile reagent in flow. The utility of these new …

Open DOIPDF
Cover of Org. Biomol. Chem.
Graphical abstract for The Application of Flow Microreactors to the Preparation of a Family of Casein Kinase I Inhibitors

Journal article

The Application of Flow Microreactors to the Preparation of a Family of Casein Kinase I Inhibitors

Venturoni, F.; Nikbin, N.; Ley S. V.; Baxendale, I. R.

Org. Biomol. Chem. · 2010 · 8 · 1798–1806

Synthetic and heterocyclic chemistryRoute design and process chemistryFlow chemistry and reaction engineeringAutomation and analyticsHazardous and reactive intermediatesImmobilised reagents and scavengers

In this article we demonstrate how a combination of enabling technologies such as flow synthesis, solid-supported reagents and scavenging resins utilised under fully automated software control can assist in typical medicinal chemistry programmes. In particula…

Open DOIPDF
Graphical abstract for Organic Chemistry in Microreactors; Heterogenous Reactions

Book chapter

Organic Chemistry in Microreactors; Heterogenous Reactions

Baxendale, I. R.; Hayward, J. J.; Lanners, S.; Ley, S. V.; Smith, C. D.

Microreactors in Organic Chemistry and Catalysis · 2008 · Chapter 4.2 · 84–121

Synthetic and heterocyclic chemistryFlow chemistry and reaction engineeringAutomation and analytics

Modern organic synthesis is undergoing a period of rapid change due to the many demands challenging it today. The need for greater speed in the discovery process requires high‑throughput methods and inevitably more advanced automation. However, safety factors…