HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 525545Generated: October 29, 2026
Trifluoroacetic acid → HCID 86695435, compound
https://huagongshe.com/reaction/525545
Participants
| Role | Name | HCID | Charge |
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| Reactant | Trifluoroacetic acid | HCID 6422 | — |
| Reactant | HCID 86695433 | HCID 86695433 | — |
| Solvent | Bicarbonate Ion | HCID 769 | — |
| Solvent | Dichloromethane | HCID 6344 | — |
| Product | HCID 86695435 | HCID 86695435 | 47.4% |
Reaction Steps
To a solution of 1-{(4S,5R)-5-[4-(6-Dimethylaminomethyl-pyridin-3-yl)-phenyl]-4-fluoromethyl-2,2-dimethyl-oxazolidin-3-yl}-2,2-difluoro-ethanone (0.070 g, 0.166 mmol) in CH2Cl2 (5 mL) is added trifluoroacetic acid (1.0 mL). The resulting reaction mixture is stirred at room temperature for 5 hours. Concentrated to get the crude residue and diluted with aqueous bicarbonate solution and extracted with ethyl acetate. Organic layer is dried over sodium sulphate, solvent is evaporated in vacuo and purified by combi-flash chromatography using 15% methanol in CH2Cl2 as an eluent. Obtained solid is washed with n-pentane and diethyl ether to afford the title compound (0.030 g). 1HNMR (400 MHz, DMSO-d6) δ: 2.44 (s, 6H), 3.90 (bs, 2H), 4.28-4.30 (m, 1H), 4.31-4.33 (m, 0.5H), 4.41-4.45 (m, 0.5H), 4.54-4.55 (m, 0.5H), 4.65-4.68 (m, 0.5H), 4.89 (t, J=4.0 Hz, 1H), 5.93 (d, J=4.56 Hz, 1H), 6.20 (t, J=53.76 Hz, 1H), 7.47 (d, J=8.24 Hz, 2H), 7.53 (d, J=8.16 Hz, 1H), 7.72 (d, J=8.24 Hz, 2H), 8.11-8.13 (m, 1H), 8.84-8.87 (m, 2H). LC-MS (m/z): [M+H]=382.1.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US09340564B2 |
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| Source dataset | uspto-grants-2016_05 |
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| ORD ID | ord-93e144535c1544af9ddfa5dad8e3fcbb |
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| Source note | uspto-grants-2016_05 |
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