Model Based Approach to Develop a Ring-Closure Reaction with High Product Selectivity Source: AIChE Type: Conference PresentationConference Type: AIChE Annual Meeting Presentation Date: November 12, 2015 Duration: 30 minutes Skill Level: Intermediate PDHs: 0.50 Share This Post: An intramolecular nucleophilic aromatic substitution reaction promoted by strong base is a commonly used reaction to form pharmaceutically-relevant heterocycles in the industry. In this contribution, modeling of this ring-closure reaction was used to achieve extremely high product selectivity over impurity formation by a competitive side reaction between the desired product and the strong base, potassium tert-butoxide. The elementary steps of this competitive reaction were investigated using in situ NMR techniques for raw data collection to derive a mechanistic kinetic model. Demonstration of the model findings, specifically removal of the byproduct t-butanol (t-BuOH) from the solution, resulted in reduced impurity formation. Preview Presentation: Presenter(s): Marimuthu Andiappan Once the content has been viewed and you have attested to it, you will be able to download and print a certificate for PDH credits. If you have already viewed this content, please click here to login. Checkout Checkout Do you already own this? Log In for instructions on accessing this content. Pricing Individuals AIChE Member Credits 0.5 AIChE Members $19.00 AIChE Graduate Student Members Free AIChE Undergraduate Student Members Free Non-Members $29.00 Language: English