Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | 2-Fluorobenzoyl chloride | HCID 9808 | — |
| Reactant | Diisopropylethylamine | HCID 81531 | — |
| Reactant | HCID 178497860 | HCID 178497860 | — |
| Solvent | Tetrahydrofuran | HCID 8028 | — |
| Product | Ataluren | HCID 11219835 | 91.9% |
Reaction Steps
To a solution of 3-(N-Hydroxycarbamimidoyl)-benzoic acid methyl ester (60 g, 310 mmol) in anhydrous THF (200 mL) was added diisopropylethylamine (75 mL, 434 mmol) at 5° C., and then to the mixture was added 2-fluorobenzoyl chloride (48.1 mL, 403 mmol) over 20 min. The reaction mixture was stirred forth at room temperature. The precipitate was filtered off and the filtrate was concentrated under reduced pressure. The residue was dissolved in ethylacetate (400 mL) and then washed with water (200 mL×2). The solvent was removed under reduced pressure and the desired product was crystallized in 60% ethylacetate in hexane to yield the desired product (81 g, 83% yield) as a white solid. 1H-NMR (CDCl3) δ 8.18 (1H), 8.03 (2H), 7.48 (2H), 7.18 (2H), 5.61 (2H), 3.82 (3H).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US08486982B2 |
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| Source dataset | uspto-grants-2013_07 |
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| ORD ID | ord-9b120ce435a347668b4d3efe744ced02 |
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| Source note | uspto-grants-2013_07 |
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