HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 537579Generated: October 29, 2026
Potassium Phosphate, Tribasic → 2-(4-cyclopropyl-1H-pyrazol-1-yl)-5-nitropyridine
https://huagongshe.com/reaction/537579
Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Potassium Phosphate, Tribasic | HCID 62657 | — |
| Reactant | Tricyclohexylphosphine | HCID 75806 | — |
| Reactant | Cyclopropylboronic acid | HCID 2760897 | — |
| Reactant | 2-(4-iodo-1H-pyrazol-1-yl)-5-nitropyridine | HCID 64429772 | — |
| Catalyst | palladium(II) acetate | HCID 167845 | — |
| Product | 2-(4-cyclopropyl-1H-pyrazol-1-yl)-5-nitropyridine | HCID 68157688 | 28% |
Reaction Steps
A flask was charged with a mixture of the 2-(4-iodo-1H-pyrazol-1-yl)-5-nitropyridine (0.600 g, 1.90 mmol), cyclopropylboronic acid (652 mg, 7.59 mmol), palladium acetate (43 mg, 0.19 mmol), tricyclohexylphosphine (112 mg, 0.380 mmol), and tripotassium phosphate (1.41 g, 6.64 mmol) and then equipped with a micro reflux condenser and purged with dry nitrogen. Freshly degassed toluene (10 ml) was added followed by degassed water (0.4 ml) and the mixture was heated to reflux for 12 hours. The reaction mixture was cooled to ambient temperature, then diluted with ethyl acetate and water. The aqueous layer was extracted with ethyl acetate (3×) and the combined organic extracts were dried over sodium sulfate, filtered, and concentrated in vacuo. The crude material was purified via ISCO MPLC (SiO2, 0-25% ethyl acetate in heptane) to yield the product (0.12 g, 28%) as a solid. 1H NMR (400 MHz, CDCl3): δ 9.24 (d, J=2.7 Hz, 1H), 8.56 (dd, J=9.1, 2.6 Hz, 1H), 8.32 (s, 1H), 8.08 (d, J=9.0 Hz, 1H), 7.62 (s, 1H), 1.79 (tt, J=8.6, 5.1 Hz, 1H), 0.97 (ddd, J=8.2, 6.1, 4.3 Hz, 2H), 0.64 (dt, J=6.3, 4.7 Hz, 2H).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US08859591B2 |
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| Source dataset | uspto-grants-2014_10 |
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| ORD ID | ord-87e09d43c82d4f0a95a0e5909a5600f3 |
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| Source note | uspto-grants-2014_10 |
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