Hydrolysis of Chemical Warfare Agents Using an Organocatalyst

TDA Research, Inc. (TDA) proposes to develop small molecule organocatalysts to detoxify chemical warfare (CW) agents of the V and G classes. The organocatalyst could be incorporated into the topcoat of vehicles, where it would be already present and immediately go to work if the surface became contaminated. A self-decontaminating material can avoid use of a conventional decon solution, improving logistics and aiding in maintaining operational tempo. It could also be used in protective clothing or improved sorbents. Organocatalysts are economical, environmentally benign, and their structure can be readily modified to improve their activity; they have shown practical utility for a number of applications. TDA’s organocatalyst is comprised of three key elements to bind and orient the target agent, and then promote the desired selective cleavage of the P–S bond. TDA demonstrated the feasibility of the approach by preparing organocatalysts that catalytically promote P–S bond cleavage in CW simulants Malathion and Demeton S-methyl. In Phase II, we plan to generate more active catalysts using a combination of structure-activity relationship (SAR) data, NMR binding studies, and tests with simulants and live CW agents. Our organocatalyst structures are easy to alter, making analogues straightforward to synthesize.