Reaction Analysis and PAT Tools From Research to Manufacturing

Chemical Synthesis, Engineering and PAT Understanding Reaction Chemistry with ReactIR™ In Situ Analytical Tools ReactIR™ is proven to have the inherent performance, in situ sampling versatility and intuitive, powerful reaction analysis software necessary to easily and rapidly provide comprehensive information and understanding about chemistry. Over twenty years ago, METTLER TOLEDO developed an innovative technology, ReactIR™, to enable chemists to thoroughly understand reaction chemistry. The fifth generation ReactIR™ has allowed chemists and engineers to design better, safer and more productive chemistry. Facing...

Providing Answers for Chemical Reaction Analysis An Essential Tool for Understanding Chemistry Time (mins) • Unsurpassed spectroscopic performance for accurate and precise reaction species quantification • Tracks concentration changes of all key reaction species • Wide range of in situ sampling probes and flow cells interface with virtually all reaction vessels to eliminate errors associated with offline analysis • Identifies reaction endpoint and key intermediate steps • Powerful software provides answers and eliminates difficulties associated with interpreting IR spectra • Relates process variables...

Solving Real-World Chemistry Challenges I Improved Reaction Understanding Faster Development and Improved Scale-up • Reduce scale-up iterations • Develop high quality process understanding • Ensure transfer of safe and robust processes Process Development • Fast development of the first batch of new compounds at scale • Development of a viable synthetic route • Screen critical parameters to resolve potential synthesis bottlenecks Research and Early-Phase Development • Gain comprehensive process understanding by continuously monitoring the entire reaction leading to a more robust process with...

• Eliminate batch failure/costly rework • Validation of process performance at scale • Improve cycle time Over twenty years of solving customer process chemistry problems throughout industry and academia have resulted in ReactIR™ - a simple to use, robust reaction analysis solution that delivers critical information that is otherwise impossible to obtain. ReactIR™ is the integration of these various sub-platforms into a versatile package that has been designed exclusively for reaction analysis. Broadest Range of In Situ Probes Unsurpassed FTIR/ ATR Performance • Understand the fundamental causes...

Reaction Insight and Understanding ReactIR™ In Situ probes • Temperatures from -120°C to 400°C • Pressures from vacuum to 350 bar • Superacids to highly basic chemistry • Slurries and reactions with larger particles/ bubbles present • Highly oxidizing conditions • Submillimolar concentration reagents • Precise reaction temperature monitoring coupled with infrared monitoring • Continuous flow chemical processes Study Real-World Chemistry Under Actual Reaction Conditions Traditional offline methods to analyze reaction chemistry, such as HPLC, NMR, GC, etc. share a common problem - when a sample...

Tough Chemistry Challenges? Just insert the probe and analyze – no matter what the chemistry! Highly Corrosive Chemistry High Temperatures and Pressure Slurries, Catalysts and Particles H20 or any Organic Solvent-Based System Highly Acidic or Basic Versatile ReactIR™ Probes make In situ FTIR Analysis Straightforward In 1994, METTLER TOLEDO introduced the first FTIR in situ optical probe capable of handling a vast array of chemistries. Thousands of probes have been installed that have analyzed tens of thousands of chemistries. The patented DiComp™ probe uses a virtually indestructible diamond...

Intuitive, Intelligent iC IR Software Transforms Data into Information iC IR™ software was designed to take infrared data and convert it into useful and meaningful information about chemical reactions, in real time. The result of an extensive research project on how scientists analyze reactions, iC IR allows chemists and engineers to quickly gain an understanding of their chemistry. ReactIR collects data in the mid infrared spectral region, which provides characteristic fingerprint region bands that are associated with fundamental vibrations in the molecules of interest. iC IR takes this spectral...

Software Spotlight: A Faster Way to Optimize Chemistry iC Kinetics™ software helps chemists and engineers quickly optimize chemical reactions by automatically developing a kinetic model that describes the influence of various experimental parameters on the rate of a chemical reaction. The kinetic model can be used to simulate the effect of concentration and temperature on the performance of the reaction. This information is generated in fewer experiments than a traditional approach, leading to a faster method to understand and optimize chemical reactions. iC Kinetics™: • Optimize reactions faster •...

Chemical Synthesis, Engineering and PAT Proven Results for Virtually Every Class of Chemistry After thousands of reactions and hundreds of reaction classes successfully monitored by ReactIR™, METTLER TOLEDO has developed in situ FTIR as a seminal methodology alongside NMR and HPLC for understanding and scaling-up complex chemistry. METTLER TOLEDO is the world leader in in situ spectroscopy technology and provides scientists with tools to continuously monitor a chemical reaction for a deeper understanding of reaction kinetics, mechanisms and pathways. Two decades of working with chemists and engineers...

Application Spotlight Demanding Sensitivity for Low Concentration Chemistry ReactIR™ has enabled scientists to develop a better understanding of their chemistry for a wide range of applications including: Organic synthesis Organometallic chemistry Continuous flow chemistry Catalysis Biocatalysis High pressure chemistry Green chemistry Polymer synthesis Alkyl Cobalt species + CO Enolates and related carbanions generated using the hindered non-nucleophilic base lithium diisopropylamide (LDA) have attained a prominence in organic chemistry enjoyed by few reagents. Due to the important role of enolates...