HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 2365786Generated: October 30, 2026
Sodium Carbonate → 4-(2-Fluoropyridin-4-yl)-2-(methylthio)pyrimidine
https://huagongshe.com/reaction/2365786
Participants
| Role | Name | HCID | Charge |
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| Reactant | Sodium Carbonate | HCID 10340 | — |
| Reactant | 2-Fluoropyridine-4-boronic acid | HCID 2783396 | — |
| Reactant | 4-Bromo-2-(methylsulfanyl)pyrimidine | HCID 45787531 | — |
| Catalyst | HCID 178418807 | HCID 178418807 | — |
| Solvent | 1,4-Dioxane--water (1/1) | HCID 21886435 | — |
| Product | 4-(2-Fluoropyridin-4-yl)-2-(methylthio)pyrimidine | HCID 86696645 | 90.5% |
Reaction Steps
A suspension of 4-bromo-2-(methylthio)pyrimidine (7.00 g, 34.1 mmol), 2-fluoropyridin-4-ylboronic acid (5.05 g, 35.8 mmol), Na2CO3 (10.9 g, 102 mmol) and Pd(dppf)Cl2 CH2Cl2 (1.40 g, 1.71 mmol) in dioxane/H2O (100 mL; 1:1) was heated to 85° C. under an Ar balloon for 2 hours. The reaction mixture was cooled to room temperature and concentrated. The residue was diluted with ethyl acetate (200 mL) and water (100 mL). The layers were separated, and the aqueous layer was extracted with ethyl acetate (1×). The organics were dried, filtered and concentrated. The crude product was purified via column chromatography, eluting with hexanes/ethyl acetate (3:1) to give 4-(2-fluoropyridin-4-yl)-2-(methylthio)pyrimidine (6.83 g, 90%) as a solid. 1H NMR (400 MHz, (CD3)2SO) δ 8.85 (d, J=5.2 Hz, 1H), 8.46 (d, J=5.2 Hz, 1H), 8.11 (m, 1H), 7.96 (d, J=5.2 Hz, 1H), 7.92 (s, 1H), 2.62 (s, 3H); m/z (APCI-pos) M+1=222.1.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US08697715B2 |
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| Source dataset | uspto-grants-2014_04 |
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| ORD ID | ord-221da00f234749559cc3ab26fb5504a5 |
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| Source note | uspto-grants-2014_04 |
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