HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1425549Generated: October 29, 2026
Trifluoroacetic acid → HCID 24890104, compound
https://huagongshe.com/reaction/1425549
Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Trifluoroacetic acid | HCID 6422 | — |
| Reactant | 4-Fluorobenzoyl chloride | HCID 67879 | — |
| Reactant | Diisopropylethylamine | HCID 81531 | — |
| Reactant | HCID 67265646 | HCID 67265646 | — |
| Solvent | Dichloromethane | HCID 6344 | — |
| Product | HCID 24890104 | HCID 24890104 | — |
Reaction Steps
4-Fluorobenzoyl chloride (6.63 μL, 0.056 mmol) was added to a solution of tert-butyl 1-(4-amino-2-(4-bromo-2-methyl-2H-pyrazol-3-yl)phenoxy)-2-methylpropan-2-ylcarbamate (0.25 mL of a 0.2M solution in dichloromethane, 0.050 mmol) and N,N-diisopropylethylamine (13.1 μL, 0.075 mmol) in dichloromethane (0.5 mL) and the reaction vessel was agitated on a mechanical shaker overnight. TFA (0.25 mL) was added, and the reaction vessel was shaken for another 30 min. The solvent was evaporated in vacuo, and the crude product was purified by RP-HPLC and lyophilized to give the title compound as a TFA-salt (26 mg, 92%). LCMS m/z (%)=463.2 (M+H 81Br 43%), 461.2 (M+H 79Br 43%). 1H NMR (400 MHz, DMSO-d6) δ ppm 1.09 (s, 3 H), 1.11 (s, 3 H), 3.60 (s, 3 H), 3.76 (d, J=9.60 Hz, 1 H), 3.92 (d, J=9.85 Hz, 1 H), 7.21 (d, J=9.09 Hz, 1 H), 7.27-7.36 (m, 2 H), 7.60 (s, 1 H), 7.62 (d, J=2.53 Hz, 1 H), 7.86 (s, 3H), 7.87 (dd, J=9.09, 2.53 Hz, 1 H), 7.93-8.00 (m, 2 H), 10.30 (s, 1 H).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | USRE045336E1 |
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| Source dataset | uspto-grants-2015_01 |
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| ORD ID | ord-17d82889cf34415094e695635cec5645 |
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| Source note | uspto-grants-2015_01 |
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