Fig. 3: Mechanistic Study for Superior Ortho-selectivity. | Nature Communications

Fig. 3: Mechanistic Study for Superior Ortho-selectivity.

From: Electrocatalyzed direct arene alkenylations without directing groups for selective late-stage drug diversification

Fig. 3: Mechanistic Study for Superior Ortho-selectivity.The alternative text for this image may have been generated using AI.

See supplementary information for reaction details. a Scope for anisole and olefin. General procedure A: divided cell, anodic chamber: 2 (1.0 mmol), 3 (0.20 mmol), Pd(OAc)2 (10 mol%), L12 (20 mol%), NaOAc (0.20 M), BQ (20 mol%), HFIP:AcOH (1:2); cathodic chamber: NaOAc (0.20 M), BQ (20 mol%), HFIP:AcOH (1:2), constant current at 1.0 mA, 60 °C, 20 h, graphite felt (GF) anode, Pt-plate cathode. a General procedure C, 2 (1.0 mmol), 3 (0.5 mmol). b Pt as anode. c 80 °C. b Non-covalent interaction plots for the TS(1-2)ortho and TS(1-2)para. c Chemical oxidants vs Electricity. d Variation of anode materials. RVC Reticulated vitreous carbon, GF Graphite felt, BDD Boron doped diamond. GR Graphite rod. e Ortho/para-selectivity profile. Combined yields of ortho/para-34 were given in the parenthesis. The error bars indicate the possible selectivity fluctuations generated from crude NMR analysis. f Selective electrooxidation of p-40. g Cyclic voltammogram for 40, glass carbon was used as working electrode.

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