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Calculated and measured pKcycl values of HMRG derivatives substituted with various groups on the benzene moiety. R = H; X = O.
| Exp. pKcycl | Calc. pKcycl | ||||
|---|---|---|---|---|---|
| X | 3′ (5′) | 3′ | 4′ | 5′ | 6′ |
| F | 8.0 | 8.1 | 8.3 | 7.4 | 8.1 |
| Me | 6.6 (8.2) | 6.1 | 8.1 | 7.9 | 7.2 |
| CF3 | 5.3 | 5.3 | 7.1 | 7.4 | 7.6 |
| H | 8.1 | 7.9 | - | - | - |
