A suitable solvent for a chemical reaction should combine several properties like
- be inert under the reaction conditions
- dissolve starting material E, reagent R, base B and product P
- be useful for reaction and/or workup
- be removable for potential reuse
- Generate a list of chemically compatible solvents
- Estimate the HSPs of all participents in the reaction: educt E, reagent R, base B and product P.
- Define the virtual reaction point V in the HSP-space
- List single solvents and solvent pairs sorted by increasing distance to V
- Report results
See a case study how this approach was applied in the synthesis of a precursor to 18F-DOPA, a PET imaging agent.