tert-ButylBrettPhos

• CAT Number: R036088
• CAS Number: 1160861-53-9
• Molecular Formula: C31H49O2P
• Molecular Weight: 484.70
• Purity: ≥95%
• Synonyms: [3,6-Dimethoxy-2’,4’,6’-tris(1-methylethyl)[1,1’-biphenyl]-2-yl]bis(1,1-dimethylethyl)phosphine; Di-tert-butyl(2’,4’,6’-triisopropyl-3,6-dimethoxybiphenyl-2-yl)phosphine
• Storage: -80°C
• IUPAC Name: ditert-butyl-[3,6-dimethoxy-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane
• InChI: InChI=1S/C31H49O2P/c1-19(2)22-17-23(20(3)4)27(24(18-22)21(5)6)28-25(32-13)15-16-26(33-14)29(28)34(30(7,8)9)31(10,11)12/h15-21H,1-14H3
• InChIKey: REWLCYPYZCHYSS-UHFFFAOYSA-N
• SMILES: CC(C)C1=CC(=C(C(=C1)C(C)C)C2=C(C=CC(=C2P(C(C)(C)C)C(C)(C)C)OC)OC)C(C)C

tert-ButylBrettPhos(CAT: R036088) is a sterically bulky, electron-rich biaryl monophosphine ligand widely used in palladium-catalyzed cross-coupling reactions, particularly C–N and C–O bond formations. Its structure features a tert-butyl-substituted phosphine core attached to a rigid biaryl backbone, which imparts both high reactivity and excellent selectivity. tert-ButylBrettPhos is especially effective in Buchwald–Hartwig amination and etherification of aryl halides, even with challenging substrates. Its thermal stability and broad functional group tolerance make it a powerful tool in complex molecule synthesis, including pharmaceuticals and advanced materials.