HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1502435Generated: October 31, 2026
Tetrahydrofuran → Methyl 5-bromo-6-methylnicotinate
https://huagongshe.com/reaction/1502435
Participants
| Role | Name | HCID | Charge |
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| Reactant | Tetrahydrofuran | HCID 8028 | — |
| Reactant | Methyl 5,6-dibromonicotinate | HCID 12677292 | — |
| Reactant | HCID 178418573 | HCID 178418573 | — |
| Catalyst | Dichloro(1,1'-(1,3-propanediyl)bis(1,1-diphenylphosphine-kappaP))nickel | HCID 2724937 | — |
| Solvent | Tetrahydrofuran toluene | HCID 22635083 | — |
| Product | Methyl 5-bromo-6-methylnicotinate | HCID 58001778 | 44% |
Reaction Steps
To a solution of methyl 5,6-dibromopyridine-3-carboxylate (0.5122 g; 1.737 mmol) in tetrahydrofuran (10.0 mL; 123 mmol) at 0° C. (using an oven-dried flask) was added 1,3-bis(diphenylphosphino)propane nickel(II) chloride (98.0 mg; 0.179 mmol). After 5 minutes, methylmagnesium bromide (1.4 mol/L) in THF:toluene (1:3) (1.6 mL; 2.2 mmol) was added dropwise. After addition was complete, the reaction mixture was stirred at room temperature. After 8 hours, methylmagnesium bromide (1.4 mol/L) in THF:toluene (1:3) (1.0 mL) was added and the reaction stirred at room temperature overnight. The reaction mixture was quenched with saturated aqueous NH4Cl and extracted with ethyl acetate. The organic portion was dried over MgSO4, filtered, and evaporated in vacuo. The crude product was purified via flash chromatography on silica gel (25 g silica, solvent gradient: 0-30% ethyl acetate in dichloromethane) to yield 174.1 mg (44%) of the title compound. LCMS (ESI): M+H=230.2; 1H NMR (400 MHz, DMSO) δ 8.93 (d, J=1.4 Hz, 1H), 8.39 (d, J=1.4 Hz, 1H), 3.89 (s, 4H), 2.67 (s, 4H).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US09206175B2 |
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| Source dataset | uspto-grants-2015_12 |
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| ORD ID | ord-f3a2a3becb154eae9e94d8dc314f9f9c |
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| Source note | uspto-grants-2015_12 |
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