Fig. 5: Substrate scope study of deuterium incorporation of alkylarenes using BaH/MgO catalyst. | Nature Communications

Fig. 5: Substrate scope study of deuterium incorporation of alkylarenes using BaH/MgO catalyst.

From: Fabrication of atomically dispersed barium hydride catalysts for the synthesis of deuterated alkylarenes

Fig. 5: Substrate scope study of deuterium incorporation of alkylarenes using BaH/MgO catalyst.

The optimized reaction conditions were adopted to ensure the deuteration of less active substrates to a greater extent. Reaction conditions, unless otherwise noted: 0.4 mmol of the substrate, 2 mol% BaH with respect to the substrate (5.6 mg BaH/MgO), 2 mL of cyclohexane as solvents, and 6 bar of D2 in a 50 mL autoclave, 25 °C, 6 h. Percent deuterium incorporations shown in parentheses were determined by 1H NMR integration relative to the peaks from an unlabeled C–H site or 1,3,5-trimethoxylbenzene as the internal standard substrate. Steelblue spots: deuteration of benzylic site; Orange spots: deuteration of aromatic site. a4 mol% of BaH (11.2 mg BaH/MgO), 6 h; b10 mol% of BaH (27.8 mg BaH/MgO), 12 h. c10 mol% of BaH (27.8 mg BaH/MgO), 6 h; d20 mol% of BaH (55.6 mg BaH/MgO), 12 h. e45 °C, 10 mol% of BaH (27.8 mg BaH/MgO), 12 h.

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