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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 2096325Generated: November 3, 2026

Trifluoroacetic acid → HCID 59252409, compound

https://huagongshe.com/reaction/2096325

Reaction equation

Participants

RoleNameHCIDCharge
ReactantTrifluoroacetic acidHCID 6422—
ReactantHCID 178451799HCID 178451799—
SolventTolueneHCID 1140—
ProductHCID 59252409HCID 5925240920.7%

Reaction Steps

Solid tert-butyl 4-(4-(2-phenylpyrimidin-5-yl)-1H-imidazol-2-yl)piperidine-1-carboxylate (Example 17, 122 mg, 0.30 mmol) was treated with trifluoroacetic acid 2.0 mL) at room temperature for 15 minutes. Three times the reaction mixture was diluted with toluene and concentrated under reduced pressure to provide a dark semi-solid. The crude material was chromatographed on silica (12 g) eluted with 1:5:85 v/v acetic acid-methanol-dichloromethane. Some clean fractions were collected, concentrated, and the purified material was three times diluted with toluene and concentrated then promoted to solidify under hexane with scratching to afford the title compound (19 mg) as a light-pink acetate salt. The remaining fractions were collected, concentrated, three times diluted with toluene and concentrated to afford a semi-solid; Rf 0.17 with 1/10/90 v/v acetic acid/methanol/dichloromethane; 1H-NMR (400 MHz; DMSO-d6) δ 9.20 (s, 2H), 8.6-8.8 (br d, 1H), 8.3-8.5 (m, 3H), 7.83 (s, 1H), 7.45-7.55 (m, 3H), 3.2-3.5 (m, 2H), 2.95-3.2 (m, 3H), 2.1-2.2 (m, 2H), 1.8-2.0 (m, 5H); MS (ESI+) m/z 306 (M+1); H-PGDS FPBA IC50: 1 μM.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08450326B2
Source datasetuspto-grants-2013_05
ORD IDord-09abe49272ea43d9b6135f862514a4bf
Source noteuspto-grants-2013_05