HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 499088Generated: October 30, 2026
Propanamide, 3,3,3-trifluoro-N-(4-mercaptophenyl)- → HCID 178428352, compound
https://huagongshe.com/reaction/499088
Participants
| Role | Name | HCID | Charge |
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| Reactant | Propanamide, 3,3,3-trifluoro-N-(4-mercaptophenyl)- | HCID 57674932 | — |
| Reactant | HCID 178428354 | HCID 178428354 | — |
| Solvent | Dimethylformamide | HCID 6228 | — |
| Solvent | Ethyl Acetate | HCID 8857 | — |
| Solvent | Sodium Bicarbonate | HCID 516892 | — |
| Product | HCID 178428352 | HCID 178428352 | 44.9% |
Reaction Steps
A solution of 6-(3-cyclopropyl-3-fluoroazetidin-1-yl)-5-fluoro-N-(3-methyl-1H-pyrazol-5-yl)-2-(methylsulfonyl)pyrimidin-4-amine (64 mg, 0.17 mmol) and 3,3,3-trifluoro-N-(4-mercaptophenyl)propanamide (47 mg, 0.20 mmol) in DMF (3 ml) was heated to 80° C. and stirred for 6 hrs. The reaction was diluted with ethylacetate (20 ml) and Sat. NaHCO3 (20 ml) and the organic layer washed with brine (20 ml), dried (Na2SO4) and concentrated to give an oil. Compound was purified by mass directed preparative HPLC, eluted with acetonitrile/water/TFA to give the title compound as a white solid (TFA salt, 41.2 mg, 37%). 1H NMR (DMSO, 400 MHz) 0.46-0.50 (2H, m), 0.61-0.64 (2H, m), 1.38-1.45 (1H, m), 1.93 (3H, s), 3.55 (2H, q), 4.00-4.18 (4H, m), 5.27 (1H, s), 7.54 (2H, d), 7.71 (2H, d), 9.39 (1H, s), 10.57 (1H, s). ES+ 540.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US07767672B2 |
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| Source dataset | uspto-grants-2010_08 |
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| ORD ID | ord-9dba89fc3e0346ac87aee0a4100a42d4 |
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| Source note | uspto-grants-2010_08 |
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