Rapid Feasibility Studies for Novel Routes to Direct CL-20 Intermediates

The overall technical objective is to identify one or more promising synthetic methods for the preparation of a direct intermediate to CL-20 that uses commodity reagents and enable CL-20 to be prepared at a price of $150/lb. The intermediate will likely be a tetra- or hexa-acyl hexaazaisowurtzitane cage known to be convertible to CL-20 in good yield. The Phase I approach is to rapidly determine feasibility of five proposed routes to a direct CL-20 precursor. LC/MS analytical methods will be developed to quickly screen aliquots of reaction mixtures for novel hexaazaisowurtzitane* (HAIW) intermediates and other products. Statistical design of experiments (sDoE) will guide broad sampling of reaction space and define key parameters and potential interactions. At least 5 grams of a direct intermediate will be made and thoroughly characterized chemically and by energetic material screens for safety at LLNL. In the Phase I option period, up to two promising methods will be subjected to intensive sDoE study of key parameters, the interactions of these parameters, and the optimization of yields and purity of the desired product in response surface studies.