HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 596073Generated: October 30, 2026
Cesium carbonate → Methyl 4-(3-amino-6-cyclopropylpyrazin-2-yl)-2-fluorobenzoate
https://huagongshe.com/reaction/596073
Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Cesium carbonate | HCID 10796 | — |
| Reactant | Bis(adamantan-1-yl)(butyl)phosphane | HCID 11371790 | — |
| Reactant | Methyl 4-(3-amino-6-bromopyrazin-2-yl)-2-fluorobenzoate | HCID 118046172 | — |
| Catalyst | palladium(II) acetate | HCID 167845 | — |
| Solvent | Water | HCID 962 | — |
| Solvent | Toluene | HCID 1140 | — |
| Product | Methyl 4-(3-amino-6-cyclopropylpyrazin-2-yl)-2-fluorobenzoate | HCID 118045452 | 472.9% |
Reaction Steps
To methyl 4-(3-amino-6-bromopyrazin-2-yl)-2-fluorobenzoate (for synthesis see Example 34, Step 2) (300 mg, 0.920 mmol) in toluene (10 mL) and water (1 mL) was added potassium cyclopropyl trifluoroborate (408 mg, 2.76 mmol), di(1-adamantyl)-n-butylphosphine (66.0 mg, 0.184 mmol), cesium carbonate (1499 mg, 4.60 mmol), and palladium(II) acetate (20.65 mg, 0.092 mmol). The reaction mixture was heated in heating block at 100° C. overnight. The reaction mixture was quenched with sat. NH4Cl and extracted with ethyl acetate. The organic extracts were combined, washed with brine, dried over sodium sulfate, filtered and evaporated. The crude was purified by flash chromatography (0 to 80% EtOAc in heptane) yielding methyl 4-(3-amino-6-cyclopropylpyrazin-2-yl)-2-fluorobenzoate (250 mg, 90%). LCMS (m/z): 288.2 (MH+), 0.756 min.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US09242996B2 |
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| Source dataset | uspto-grants-2016_01 |
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| ORD ID | ord-a6a7ff7247ed47848c5d8f9180cadea7 |
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| Source note | uspto-grants-2016_01 |
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