Parallel Combinational Chemistry to Produce Ester

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Esters are defined as molecules consisting of a carbonyl group which is adjacent to an ether linkage. They are polar molecules which are less polar than alcohols but more so than ethers, due to their degree of hydrogen bonding ability. Most often derived from reacting an alcohol with a carboxylic acid, esters are a unique, ubiquitous class of compounds with many useful applications in both natural and industrial processes 1. For example, within mammals, esters are used in triglycerides and other lipids as they are the main functional group attacking fatty acids to the glycerol chain 2. A unique property of esters is their tendency to give off distinct aromas such as the scent of apples (Ethyl caprylate) and bananas (Isoamyl acetate). This is of a unique importance especially in industries that utilize flavors and aromas such as the tobacco, candy and alcohol industry. Consistent research is conducted in order to enhance and increase the effectiveness of esters in these products 3.

The most classic and standard procedure for producing esters is the Fisher-esterification reaction. Discovered in 1895 by German chemists Emil Fischer and Arthur Speier 4, this reaction involves refluxing a carboxylic acid and an alcohol in the presence of an acid catalyst. In order to drive the equilibrium towards the products, the water from the dehydration process must be removed and there must be an excess amount of alcohol. A vast range of carboxylic acids may be used for this reaction however the type of alcohols are limited. Primary and secondary alcohols are most frequently used in esterification reactions, tertiary alcohols are steric ally hindered usually resulting in poor yields5 and tend to undergo elimination reactions instead. In this rea...

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...Wiley & Sons: 2008; pp 115-119

Neises, B.; Steglich, W. Simple Method for the Esterification of Carboxylic Acids. Angewandte Chemie International Edition in English. 1978,17,7, 522-524.

Mitsunobu, O.; Yamada, M. Preparation of Esters of Carboxylic and Phosphoric Acids via Quaternary Phosphonium Salts. Bulletin of the Chemical Society of Japan. 1967,40,10, 2380-2382.

Obrecht, D. Medicinal Chemistry: Combinatorial Chemistry-Parallel Synthesis. Polyphor Ltd. 2009, 26-51

Dydio, P.; Breuil, P.R.; Reek, J.H. Dynamic Combinatorial Chemistry in Chemical Catalysis. Israel J ournal of Chemistry, 2013, 53, 2, 61-74

APPENDIX

Sample Calculation:

Percent yield:

The theoretical mass of ethyl salicylate to be obtained was 1.667 grams and the actual mass obtained was 0.600 g.

Percent Yield=(Experimental Yield)/(Theoretical Yield)*100

=0.600g/1.667g*100

= 36.1%

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