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Suzuki–Miyaura coupling: 4-bromobenzonitrile + phenylboronic acid → 4-cyanobiphenyl
Ar–Br + Ar'–B(OH)₂ → Ar–Ar' (Pd(0), base)
Canonical Pd(0)-catalysed cross-coupling of an aryl halide with an aryl boronic acid. The 4-cyanobiphenyl target is the textbook demonstration substrate — electron-poor aryl halide + electron-rich boronic acid, matched polarity for a clean transmetalation. Same pair appears in the ORD-shaped test fixture at tests/fixtures/ord/suzuki_simple.json.
Conditions: Pd(PPh3)4 (5 mol%), K2CO3 (2 equiv, heterogeneous solid base), 1,4-dioxane (or dioxane:H2O 4:1 for hydrolytically robust substrates). Reflux 80–90 °C, 4–24 h. Argon or N2 atmosphere. Workup: cool, partition between EtOAc + brine, wash organic with sat. NaHCO3 + brine, dry MgSO4, concentrate, recrystallise from EtOH or chromatograph (hexane/EtOAc).
- Expected yield
- 70–85 %
- Expected duration
- 4–24 h at 80–90 °C (reflux)