N. Holmes, G.R. Akien, R.J.D. Savage, C. Stanetty, I.R. Baxendale, A.J. Blacker, B.A. Taylor, R.L. Woodward, R.E. Meadows, and R.A. Bourne
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. The amidation of methyl nicotinate with aqueous MeNH2 was optimised using design of experiments and a self-optimisation algorithm approach to produce >93% yield.
We have developed a modular software system that enables researchers to monitor and control chemical reactions via the Internet, using any device from any location in the world. It facilitates the automation of synthetic procedures and is able to autonomously self-optimize reaction parameters to find the best conditions meeting customizable, multicomponent optimization functions. In this report, we demonstrate its utility as applied to reaction automation to maximize the output from a fixed volume of catalyst. We also showcase its ability to optimize a three-dimensional heterogeneous catalytic reaction and a five-dimensional Appel reaction against various target functions.
In this publication, the Advion expression Compact Mass Spectrometer (CMS) was paired with a flow reaction system for simple reaction monitoring.
With decades of mass spectrometry and chemistry expertise, Advion Interchim Scientific has produced a family of compact mass spectrometers designed for the chemist. The affordability, small size and ease of use make them ideal for use directly at the chemist’s bench, giving immediate answers and informed decisions instead of waiting.
The Advion Interchim Scientific expression® compact mass spectrometer (CMS) is a fast and easy analytical tool for the organic chemist. Ideal for fast reaction monitoring, the expression® CMS features a single quadrupole that can adapt to multiple ionization sources in seconds, including both ESI and APCI. The mass spectrometer works in a variety of applications, including food and beverage, pharmaceutical, biomedical, peptides and proteins, drug discovery and more. The expression® CMS offers a variety of novel sampling techniques, including:
Direct mass analysis of TLC plates in 30 seconds at the push of a button with Plate Express™
One-touch analysis of solids and liquid samples with the ASAP® probe
LC/CMS
Many more options and configurations to suit your needs
Learn more about the different sample techniques available with the expression® CMS, including fast assay methods for liquids, solids, gases, and even air-sensitive compounds.
Fill out the form to download the full expression® CMS brochure now.
