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

673 - Centralized database for chloro- and fluoro-formate esters

Gabriel A. Fernandez-Bueno,, Malcolm J. D'Souza. Department of Chemistry, Wesley College, Dover, DE 19901, United States

Chloroformates and fluoroformates have been widely studied due to their extensive use in the fine-chemical industry; utilized as protecting groups in pharmaceutical peptide synthesis and as useful precursors in the synthesis of target herbicides, fungicides, and insecticides.

Solvolytic studies of chloroformates and their fluoro- analogs are completed in a variety of pure and aqueous binary organic mixtures and their mechanisms have been determined using the extended Grunwald-Winstein equation. Exposure to such esters can have acute and chronic ecological effects as a number of these compounds are very corrosive and can even explode in moist atmospheric conditions. Since a number of different international groups have completed their detailed studies, the information is scattered in various peer-reviewed journals.

In this project, we create an Excel database where the esters have a central domain containing their information. The database includes their materials safety and data sheets (MSDS), CAS number, chemical structure, type of mechanism, PubMed ID (if available), and hyperlinks to their respective production websites. The database allows for a cleaner, quicker, and more efficient method of researching the current extensive list of chloro and fluoroformates. In future, as more information becomes available and as more of these compounds are created, the database can easily be expanded to accommodate this knowledge base.

Research reported in this poster was supported by an Institutional Development Award (IDeA) from the National Institute of General Medical Sciences of the National Institutes of Health under grant number P20GM12345 and the National Science Foundation EPSCoR Grant No. EPS-081425.

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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