CHED Christine Jaworek-Lopes, Irvin Levy, Beatriz Rios-McKee  Monday, March 17, 2014 

665 - Study of solvent effects on rates of reaction of N,N-diisopropylcarbamoyl chloride

Victor DeBarros II, victor.debarros@email.wesley.edu, Malcolm J D'Souza. Department of Chemistry, Wesley College, Dover, DE 19901, United States

Background : Nitrogen is a key nutrient in chlorophyll and promotes the growth of plants when applied properly as organic nitrogen. A class of organic compounds called carbamoyl chlorides (R2NCOCl), are primarily used as chemical intermediates in patented herbicidal, fungicidal, and pesticide applications. N,N-diisopropylcarbamoyl chloride is one such carbamoyl chloride found in novel tetrazolinones which are used for herbicidal applications. Carbamoyl chlorides, in general, are listed as federal hazardous air pollutants due to the observation of chronic health effects following occupational exposure. Hence, it is important to comprehend the correlations between the R2NCOCl chemical structure, aqueous solvent effects, and chemical reactivity, as the resultant knowledge can then be applied to the development of compounds that are designed to either stimulate or block other chemicals from interacting with targeted receptors.

Methods : The effects of aqueous solvent variation of the available specific rates of solvolysis of N,N-diisopropylcarbamoyl chloride are analyzed using correlation analysis and linear free energy relationships. Establishing free-energy relationships helps in the understanding of the reaction mechanism for a chemical reaction and allows for the prediction of reaction rates and equilibrium constants.

Conclusions : The results obtained are consistent with our earlier suggestion that carbamoyl chlorides tend to solvolyze in a two-step ionization (SN1) process.



Monday, March 17, 2014 12:00 PM
Undergraduate Research Posters (12:00 PM - 02:00 PM)
Location: Dallas Convention Center
Room: Hall F

 

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