Table 5: Oxidation of benzyl alcohol catalyzed by CrLA2 using an aqueous H2O2 in acetonitrile.


Entrya Temp (°C) Time (h) Yield (%)b Conversion (%) Selectivity (%) TONd TOFe
BAb BZc Side products Ra

1 60 1 25 75 25 100 12.5 12.5
2 2 29 71 29 100 14.5 7.25
3 4 34 66 34 100 17 4.25
4 6 22 14 64 36 61 11 1.83
5 70 1 39 61 39 100 19.5 19.5
6 2 44 56 44 100 22 11
7 4 49 1 50 54 91 24.5 6.13
8 6 41 13 46 50 82 20.5 3.42
9 80 1 53 47 58 100 26.5 26.5
10 2 70 30 77 100 35 17.5
11 4 85 15 85 100 42.5 10.63
12 6 69 21 10 81 85 34.5 5.75
13 90 1 41 21 38 62 66 20.5 20.5
14 2 34 25 9 32 68 51 17 8.5
15 4 25 29 17 29 71 35 12.2 3.13
16 6 22 33 19 26 74 30 11 1.83
17 100 1 29 31 7 33 67 43 14.5 14.5
18 2 21 40 15 24 76 28 10.5 5.25
19 4 16 51 19 14 86 19 8 2
20 6 13 57 23 7 93 14 6.5 1.08

aThe oxidation of benzyl alcohol (R) (1.0 mmol) catalyzed by complex CrLA2 (0.02 mmol) with aqueous H2O2 (3.00 mL) in 10 mL acetonitrile for 1–6 h.
bThe yield based on GC results, selectivity percentage of the target oxide product BA and the other product BZ.
cThe other side products are mainly of BZ.
dTON (turnover number) = ratio of moles of product (here oxide) obtained to the moles of catalyst.
eThe corresponding TOF (turnover frequency) (TON/h) are shown in parentheses (mol (mol catalyst)−1 h−1).