4-Bromo-2-cyanobenzeneacetonitrile

100ml of water was added to the reaction vessel, 20mmol 2-cyano-4-bromophenyl acetonitrile, 60mmol potassium phenyltrifluoroborate, 1.5mmol palladium acetylacetonate, 4mmol nitrogen ligands L-1, and p-toluenesulfonic acid monohydrate 250mmol , at 80 deg.] C under stirring for 16 hours. Anti after should be ended, the mixture was poured into ethyl acetate, sequentially with saturated NaHCO3solutionand brine, the aqueous layer was extracted with ethyl acetate, the organic layers combined (i.e., combined washedorganic layer and the extract obtained the organic layer), dried over anhydrous of Na2the SO4dried, vacuum is removed by evaporationof the solvent, the residue was purified by flash column chromatography (hexane / ethyl acetate, volume ratio of between1: 2) to give a solid target product.The yield was 61.5%, % purity of 98.7(the HPLC).

Molecular Weight:221.05
XLogP3:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:219.96361
Monoisotopic Mass:219.96361
Topological Polar Surface Area:47.6
Heavy Atom Count:12
Complexity:244
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes