Table 7.
Equilibrium parameters for the rearrangement of various aryl-substituted complexes derived from 5 and 10.
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---|---|---|---|---|---|
a | b | R | Yielda | Keq | ΔGexp (kcal/mol) |
35a | 35b | N(CH3)2 | 77% | 2.15 ± 0.04 | −0.45 ± 0.01 |
31a | 31b | n-Bu | 77% | 2.26b | 0.78 ± 0.01 |
36a | 36b | H | 70% | 0.11b | 1.28 ± 0.01 |
37a | 37b | CN | 67% | -c | -c |
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a | b | R | Yielda | Keq | ΔGexp (kcal/mol) |
38a | 38b | N(CH3)2 | 75% | 1.08 ± 0.02 | −0.05 ± 0.01 |
12a | 12b | n-Bu | 76% | 0.19b | 0.97 ± 0.01 |
39a | 39b | H | 76% | 0.08b | 1.47 ± 0.01 |
40a | 40b | CN | 70% | -c | -c |
Isolated yields; prepared in analogy to Table 2.
Estimated absolute error is less than 0.01.
Rearranged species not detected by 1H NMR.