HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 450471Generated: October 25, 2026
Water → 4-(2-Ethynylpyridin-4-yloxy)-2-fluorobenzenamine
https://huagongshe.com/reaction/450471
Participants
| Role | Name | HCID | Charge |
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| Reactant | Water | HCID 962 | — |
| Reactant | Potassium Carbonate | HCID 11430 | — |
| Reactant | Trimethylsilylacetylene | HCID 66111 | — |
| Reactant | 4-(2-Chloropyridin-4-yloxy)-2-fluorobenzenamine | HCID 59458301 | — |
| Catalyst | Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI) | HCID 24350 | — |
| Solvent | Methanol | HCID 887 | — |
| Solvent | Dimethylformamide | HCID 6228 | — |
| Product | 4-(2-Ethynylpyridin-4-yloxy)-2-fluorobenzenamine | HCID 59825583 | — |
Reaction Steps
To a degassed solution of 4-(2-chloropyridin-4-yloxy)-2-fluoroaniline from Example A1 (0.801 g, 3.36 mmol) in DMF (2 mL) and TEA (2 mL) was added ethynyltrimethylsilane (0.929 ml, 6.71 mmol), trans-dichloro-bis(triphenyl phosphine) palladium(0) (0.236 g, 0.336 mmol) and copper (I) iodide (0.064 g, 0.336 mmol) and the mixture was stirred at 90° C. for 16 h. Water (60 ml) was added to the mixture, product was extracted with EtOAc (2×45 ml) and the combined organics were washed with brine, dried (Na2SO4) and concentrated to afford crude product. The product was dissolved in methanol (10 ml), K2CO3 (0.5 g) was added and the mixture was stirred at RT for 2 h. Solvent was removed, water (60 mL) and EtOAc (40 ml) were added, the layers were separated and the aqueous layer was extracted with EtOAc (1×30 mL). The combined organic layer was washed with brine, dried (Na2SO4), concentrated and purified by column chromatography (ethylacetate/hexanes) to afford 4-(2-ethynylpyridin-4-yloxy)-2-fluorobenzenamine as a thick residue (0.56 g, 73% yield). 1H NMR (400 MHz, DMSO-d6): δ 8.37 (d, J=6.0 Hz, 1H), 6.98 (dd, J=8.0 Hz, 2.4 Hz, 1H), 6.95 (d, J=6.0 Hz, 1H), 6.87 (dd, J=6.0 Hz, 2.4 Hz, 1H), 6.81-6.73 (m, 2H), 5.20 (brs, 2H), 4.03 (s, 1H); MS (ESI) m/z: 229.1 (M+H+).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US08486951B2 |
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| Source dataset | uspto-grants-2013_07 |
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| ORD ID | ord-b56575374afe4eadbae6b62c3d7d921d |
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| Source note | uspto-grants-2013_07 |
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