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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1857473Generated: November 3, 2026

HCID 178512251, compound → HCID 178457525, compound

https://huagongshe.com/reaction/1857473

Reaction equation

Participants

RoleNameHCIDCharge
ReactantHCID 178512251HCID 178512251—
SolventAcetonitrileHCID 6342—
SolventIsopropylamineHCID 6363—
SolventTriethylamineHCID 8471—
ProductHCID 178457525HCID 178457525158.6%

Reaction Steps

To a solution of N-(3-trifluoromethylphenyl)-N'-cyano-O-phenylisourea (0.98 mmol, 286 mg) in dry acetonitrile (2 ml), isopropylamine (0.184 ml) and triethylamine (0.150 ml) were added. The mixture was stirred for 42 h at room temperature under nitrogen. After concentration the residue was purified by flash chromatography (ethyl acetate/heptane 1:2) to give the title compound (210 mg, 79%) as a syrup. Crystallization from ethyl acetate / heptane 1:3 gave white crystals (165 mg, 62%). Mp 109-111° C.; 1H-NMR (CDCl3): δ 1.20 (d, 6H), 4.05 (m,1H), 4.67 (br d, 1H), 7.42 (m, 1H), 7.50 (s,1H), 7.55 (m, 2H), 7.68 ppm (br, 1H); MA calc for C12H13F3N4 : C, 53.33%; H, 4.85%; N, 20.73%. Found: C, 53.61%; H, 4.92%; N, 20.67%.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS06147098
Source datasetuspto-grants-2000_11
ORD IDord-4057f022a941415cbc4e3e2a9feb6332
Source noteuspto-grants-2000_11