HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 631380Generated: October 30, 2026
Sodium Bicarbonate → HCID 44243434, compound
https://huagongshe.com/reaction/631380
Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Sodium Bicarbonate | HCID 516892 | — |
| Reactant | 2,2-Difluoroethyl trifluoromethanesulfonate | HCID 2774089 | — |
| Reactant | HCID 66877193 | HCID 66877193 | — |
| Solvent | Ethyl Acetate | HCID 8857 | — |
| Product | HCID 44243434 | HCID 44243434 | — |
Reaction Steps
To a mixture of a solution of NaHCO3 (47 mg in 1.5 mL, 0.561 mmol) and ethyl acetate (3 mL), 2,2-difluoroethyl trifluoromethanesulfonate (48 μL, 0.22 mmol) was added. After heating at 40 C, (S)-1-(5-tert-butylisoxazol-3-yl)-3-(3-(7-methoxy-6-(pyrrolidin-3-yloxy)quinazolin-4-yloxy)phenyl)urea dihydrochloride (110 mg, 0.187 mmol) was added. The reaction mixture was stirred at 40° C. for 1 h. The mixture was diluted with ethyl acetate and organic layer was washed with brine. After drying over MgSO4, the solvent was evaporated and the crude product purified on silica gel, using dichloromethane/methanol as mobile phase. Yield: 40 mg (37%). 1HNMR (dmso-d6): δ 9.58 (1H, s), 9.00 (1H, s), 8.56 (1H, s), 7.59 (1H, s), 7.47 (1H, s), 7.40 (2H, m), 7.25 (1H, d), 6.97 (1H, d), 6.48 (1H, s), 5.15 (1H, m), 5.15 (1H, m), 3.99 (3H, s), 2.91 (6H, m), 2.40 (1H, m), 1.90 (1H, m), 1.27 (9H, s). LC-MS (ESI) m/z 583 (M+H)+.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US09320739B2 |
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| Source dataset | uspto-grants-2016_04 |
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| ORD ID | ord-7469cf8187674625852659c7f6665a70 |
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| Source note | uspto-grants-2016_04 |
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