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. Author manuscript; available in PMC: 2021 Aug 21.
Published in final edited form as: Chem Commun (Camb). 2020 Jul 16;56(65):9336–9339. doi: 10.1039/d0cc01330g

Table 1:

Comparison of average 1H enhancements ε at RT (over thermal signals at 8.5 T). Asterisks in the molecular sketches denote the enhanced 1H moieties. No enhancements are observed for substrate 6.

Entry substrate
name		 structure 1H ε with
Crabtree
(1)		 1H ε
with
IMes
(2)		 1H ε with
Phox (3)
aromatic/
aliphatic
1 pyridine graphic file with name nihms-1614004-t0005.jpg 100 1300 2
2 α-picoline graphic file with name nihms-1614004-t0006.jpg – – 132/11
3 2-fluoro-pyridine graphic file with name nihms-1614004-t0007.jpg 1a –b 140
4 2-ethyl-pyridine graphic file with name nihms-1614004-t0008.jpg – – 25/5
5 provitamin B6 graphic file with name nihms-1614004-t0009.jpg –c –c 7/2c
6 2,6-lutidine graphic file with name nihms-1614004-t0010.jpg – – –
7 caffeine graphic file with name nihms-1614004-t0011.jpg – – 4d
a)

Non-thermal signal (negative sign relative to thermal reference) but identical integral observed.

b)

HD exchange of 2-fluoropyridine with solvent observed, see Fig. S16 in SI.

c)

From pyridoxine*HCl (neutralized with NaOD 40 wt% in D2O).

d)

Saturated in MeOH-d4 (23 mM); only aromatic H enhanced.