Dataset for synthesis and authentication of 2,2',5,5'-tetrachlorobiphenyl-4-ol (4-OH-PCB 52)

2,2',5,5'-Tetrachlorobiphenyl-4-ol (4-OH-PCB 52) was synthesized for toxicological studies from 4-iodo-2,5-dichloroanisole and 2,5-dichlorobenzene boronic acid using the Suzuki-coupling reaction with Pd2(dba)3/2-dicyclohexylphosphino-2',6'-dimethoxybiphenyl (DPDB) as catalyst, followed by demethylation of 2,2',5,5'-tetrachloro-4-methoxybiphenyl (4-MeO-PCB52) with boron tribromide (BBr3). The intermediate compounds and final product were authenticated using GC-MS, NMR, and elemental analysis.