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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 511933Generated: October 31, 2026

Water → HCID 59192648, compound

https://huagongshe.com/reaction/511933

Reaction equation

Participants

RoleNameHCIDCharge
ReactantWaterHCID 962—
ReactantBenzyl BromideHCID 7498—
ReactantPotassium HydroxideHCID 14797—
ReactantHCID 59192793HCID 59192793—
CatalystTetrabutylammonium BromideHCID 74236—
SolventTolueneHCID 1140—
ProductHCID 59192648HCID 5919264859%

Reaction Steps

To a solution of 2-(3-fluoro-5-(trifluoromethyl)phenyl)-2-(4-fluorophenyl)acetonitrile (200 mg, 0.67 mmol) in toluene (7 mL) was added tetrabutylammonium bromide (65 mg, 0.20 mmol) and benzyl bromide (0.095 mL, 0.80 mmol) followed by an aqueous solution of 50% KOH (2.2 mL). The reaction mixture was vigorously stirred for 5 min, then poured into H2O (20 mL) and extracted with diethyl ether (2×20 mL). The combined organic portions were dried over anhydrous MgSO4, filtered and concentrated under reduced pressure to yield a residue. The residue was crystallized from methanol to give 2-(3-fluoro-5-(trifluoromethyl)phenyl)-2-(4-fluorophenyl)-3-phenylpropanenitrile (153 mg, 59% yield) as a white solid. LCMS: RT=2.11 min [M+H] 388.3 (2 min Phenomenex Luna C18 column, 4.6×30 mm eluting with 10-90% MeOH/H2O over 2 minutes containing 0.1% TFA; 5 mL/min, monitoring at 220 nm); NMR: 400 MHz 1H (CDCl3) ppm 3.59 (d, J=12.75 Hz, 1 H), 3.65 (d, J=13.18 Hz, 1 H), 6.87 (d, J=7.03 Hz, 2 H), 7.08 (t, J=8.35 Hz, 2 H), 7.18-7.32 (m, 8 H).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS09102599B2
Source datasetuspto-grants-2015_08
ORD IDord-36660212157640e38a99866afd8ba4df
Source noteuspto-grants-2015_08