Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Sodium hydride | HCID 24758 | — |
| Reactant | Methyl 6-chloropyridine-3-carboxylate | HCID 254249 | — |
| Reactant | 2,2,2-Trifluoroethanethiol | HCID 4133924 | — |
| Solvent | Tetrahydrofuran | HCID 8028 | — |
| Product | HCID 66803248 | HCID 66803248 | 98.2% |
Reaction Steps
To a solution of sodium hydride (60% dispersion in mineral oil, 90 mg, 2.25 mmol) in anhydrous THF (40 mL) at 0 C was added 2,2,2-trifluoro-ethanethiol (200 μL, 2.25 mmol) drop-wise under nitrogen. The resulting solution was stirred for 15 min and added to a solution of 6-chloro-nicotinic acid methyl ester (257 mg, 1.5 mmol) in anhydrous THF (40 mL) at 0 C drop-wise. The reaction mixture was allowed to warm to room temperature and stirring was continued for a further 3 h. The solution was quenched with water at 0 C and extracted into EtOAc (3×50 mL). Combined organics were washed with brine (20 mL), dried over magnesium sulfate, evaporated to dryness and purified by silica chromatography (25% EtOAc in heptane) to afford the title compound as a colourless oil (370 mg, 98%). Method C HPLC-MS: MH+ requires m/z=252. Found: m/z=252, Rt=1.41 min (94%).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US08895733B2 |
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| Source dataset | uspto-grants-2014_11 |
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| ORD ID | ord-fee6fde8ee874ae59e06773bb8a7a040 |
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| Source note | uspto-grants-2014_11 |
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