HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1430508Generated: October 31, 2026
Trifluoroacetic acid → HCID 71585077, compound
https://huagongshe.com/reaction/1430508
Participants
| Role | Name | HCID | Charge |
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| Reactant | Trifluoroacetic acid | HCID 6422 | — |
| Reactant | HCID 86713657 | HCID 86713657 | — |
| Product | HCID 71585077 | HCID 71585077 | 44% |
Reaction Steps
1-(5-(7-(4-methoxybenzylamino)-1-ethyl-2-oxo-1,2-dihydro-1,6-naphthyridin-3-yl)-4-bromo-2-fluorophenyl)-3-phenylurea (0.256 g, 0.415 mmol) was dissolved in TFA (4 mL, 51.9 mmol) and stirred at RT. After 4 h the reaction mixture was concentrated to dryness, the residue was diluted with MeOH, and the precipitated solids were removed by filtration. The filtrate was treated with satd. NaHCO3 and the resulting solid collected by filtration, rinsed with H2O, dried under vacuum, and purified by reverse phase chromatography (MeCN/H2O with 0.1% TFA). The organics were removed under reduced pressure, the aqueous residue treated with satd. NaHCO3 and the resulting solids were collected by filtration, washed with H2O and dried to afford 1-(5-(7-amino-1-ethyl-2-oxo-1,2-dihydro-1,6-naphthyridin-3-yl)-4-bromo-2-fluorophenyl)-3-phenylurea (90 mg, 44% yield). 1H NMR (400 MHz, DMSO-d6): δ 9.08 (s, 1H), 8.68 (d, 1H, J=2.4 Hz), 8.36 (s, 1H), 8.17 (d, 1H, J=8.8 Hz), 7.70 (s, 1H), 7.65 (d, 1H, J=10.8 Hz), 7.42-7.40 (m, 2H), 7.28-7.24 (m, 2H), 6.98-6.95 (m, 1H), 6.54 (br s, 2H), 6.34 (s, 1H), 4.08 (q, 2H, J=7.2 Hz), 1.20 (t, 3H, J=7.2 Hz); MS (ESI) m/z: 496.1 (M+H+), 498.1 (M+2+H+).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US08940756B2 |
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| Source dataset | uspto-grants-2015_01 |
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| ORD ID | ord-caf016eaea094e02b4e67e7ede6addec |
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| Source note | uspto-grants-2015_01 |
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