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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 2410075Generated: October 27, 2026

Acetic Acid → 1-(2-(3,3-Dimethylbutyl)-4-(trifluoromethyl)benzyl)urea

https://huagongshe.com/reaction/2410075

Reaction equation

Participants

RoleNameHCIDCharge
ReactantAcetic AcidHCID 176—
ReactantPotassium cyanateHCID 11378442—
Reactant(2-(3,3-Dimethylbutyl)-4-(trifluoromethyl)phenyl)methanamineHCID 44235013—
SolventWaterHCID 962—
SolventTetrahydrofuranHCID 8028—
SolventEthyl AcetateHCID 8857—
Product1-(2-(3,3-Dimethylbutyl)-4-(trifluoromethyl)benzyl)ureaHCID 44235257—

Reaction Steps

A mixture of Example 1B (9.0 g, 35 mmol), potassium cyanate (4.2 g, 52 mmol), and glacial acetic acid (3.1 mL, 52 mmol) in THF (70 mL) and water (7 mL) was stirred at 60° C. for 2 hours, diluted with ethyl acetate, and sequentially washed with saturated aqueous NaHCO3 and brine. The organic layer was concentrated under reduced pressure to provide the title compound. 1H-NMR (DMSO-d6) δ 7.41 (m, 3H), 4.69 (brs, 1H), 4.45 (d, 2H), 4.37 (brs, 2H), 2.64 (ddd, 2H), 1.45 (ddd, 2H), 0.99 (s, 9H).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08815930B2
Source datasetuspto-grants-2014_08
ORD IDord-6d09b19ee7a84003bd22767b2fa63768
Source noteuspto-grants-2014_08