Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Ammonium formate | HCID 2723923 | — |
| Reactant | Oxolane--water (1/1) | HCID 21881883 | — |
| Reactant | HCID 86617516 | HCID 86617516 | — |
| Catalyst | Iron | HCID 23925 | — |
| Solvent | Ethyl Acetate | HCID 8857 | — |
| Product | HCID 86617515 | HCID 86617515 | 88.6% |
Reaction Steps
To a solution of 3-(4-azido-3-nitrophenyl)-2-(3-ethynyl-2-fluorophenyl)-4,7-difluoro-3-hydroxy-2,3-dihydro-1H-isoindol-1-one (1.50 mg, 3.20 mmol) in a mixture tetrahydrofurane-water (1:1, 30.0 mL) ammonium formate (2.0 g, 32.0 mmol) was added followed by the addition of iron (1.45 g, 26.0 mmol). The mixture was heated to reflux and stirred for 180 minutes. It was cooled to room temperature and diluted with ethyl acetate. The resulting slurry was filtered through a pad of Celite, and washed with ethyl acetate. It was partitioned with water and the organic layer was washed with water, brine and dried over anhydrous sodium sulfate. Filtration and concentration resulted in an oily product. It was crystallized from diethyl ether by the addition of hexane. The product was collected by filtration, dried in vacuo, to provide 3-(3,4-diaminophenyl)-2-(3-ethynyl-2-fluorophenyl)-4,7-difluoro-3-hydroxy-2,3-dihydro-1H-isoindol-1-one (1.16 g, 88% yield). 1H NMR (400 MHz, CD3OD): 7.57 (s, 1H), 7.42-7.23 (m, 3H), 7.16 (m, 2H), 6.75 (s, 1H), 6.61-6.57 (m, 1H), 3.78 (d, J=8.4 Hz, 1H); MS (EI) for C22H14F3N3O2: 408 (M−).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US07846959B2 |
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| Source dataset | uspto-grants-2010_12 |
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| ORD ID | ord-299181a65af747719ed63b0018e1e62d |
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| Source note | uspto-grants-2010_12 |
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