HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 2174993Generated: October 29, 2026
Potassium Carbonate → HCID 67086543, compound
https://huagongshe.com/reaction/2174993
Participants
| Role | Name | HCID | Charge |
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| Reactant | Potassium Carbonate | HCID 11430 | — |
| Reactant | 1H-1,2,3-Triazole | HCID 67516 | — |
| Reactant | 2-Fluoro-3-methylbenzonitrile | HCID 23160359 | — |
| Solvent | Water | HCID 962 | — |
| Solvent | Dimethylformamide | HCID 6228 | — |
| Product | HCID 67086543 | HCID 67086543 | 27.5% |
Reaction Steps
To a mixture of 2-fluoro-3-methylbenzonitrile (4.0 g, 29.6 mmol) and 2H-1,2,3-triazole (2.04 g, 29.6 mmol) in DMF (80 mL) was added potassium carbonate (8.26 g, 59.2 mmol). The resulting mixture was heated to 120° C. for 2 h. The mixture was cooled, diluted with water and extracted with EtOAc. The organic layers were combined, dried over Na2SO4, filtered and concentrated. The residue was purified by FCC (SiO2, ethyl acetate/hexanes, gradient 0-50%) to yield the title compound (1.5 g, 26%). MS (ESI) mass calcd. for C10H8N4, 184.2; m/z found, 185.1 [M+H]+. 1H NMR (500 MHz, CDCl3): 7.95 (s, 2H), 7.66 (d, J=7.7, 0.7 Hz, 1H), 7.59 (d, J=7.8, 0.6 Hz, 1H), 7.50 (dd, J=9.8, 5.7 Hz, 1H), 2.20 (s, 3H).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US09062044B2 |
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| Source dataset | uspto-grants-2015_06 |
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| ORD ID | ord-b6552bbd86b643a981dd9adae116c5f9 |
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| Source note | uspto-grants-2015_06 |
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