Lead diversification is becoming an viable alternative to de novo synthesis as C-H functionalization chemistry offers many possible transformations including hydroxylation, acetoxylation, methoxylation, and halogenation among others. However each desired transformation can quickly become a mini research problem in and of itself, when the end goal is to quickly acquire the analogue for testing. A real world drug program does not have the time to develop new reaction conditions in order to make analogues that ultimately may not be active.
Our novel and effective lead diversification tool box addresses all these issues by offering a rapid, practical, and cost-effective solution for analogue generation. This approach permits the parallel screening of a selected set of catalytic conditions focusing on generating diversity in an approach which is totally orthogonal and complementary to conventional synthetic methods.
8 sets of 3 reaction conditions. 10 mol% PdOAc2, PhIOAc2 with 2 different salts CuOAc2 and Ag2CO3 (and no salt) to be used with 4 different solvents (MeOH, EtOH, IPrOH and AcOH) 24 reaction vials total.
2 set of 12 reaction conditions. 10 mol% PdOAc2, 1 or 2 equivalents of PhIOAc2 with 5 different salts CuOAc2, Ag2CO3, K2CO3, Cs2CO3, and MgSO4 (and no salt). 24 reaction vials total.