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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1964113Generated: October 28, 2026

Methyl 4-chloro-3-(trifluoromethyl)benzoate → Methyl 4-(cyclohexylmethyl)-3-(trifluoromethyl)benzoate

https://huagongshe.com/reaction/1964113

Reaction equation

Participants

RoleNameHCIDCharge
ReactantMethyl 4-chloro-3-(trifluoromethyl)benzoateHCID 14148738—
ReactantHCID 178419774HCID 178419774—
CatalystHCID 178418851HCID 178418851—
SolventTetrahydrofuranHCID 8028—
ProductMethyl 4-(cyclohexylmethyl)-3-(trifluoromethyl)benzoateHCID 6721159893.2%

Reaction Steps

To a stirred solution of methyl 4-chloro-3-(trifluoromethyl)benzoate (238 mg, 1.0 mmol) and bis(tri-t-butylphosphine)palladium (0) (51 mg, 0.10 mmol) in THF (2 mL) was added (cyclohexylmethyl)zinc(II) bromide (6 mL, 3.00 mmol) at room temperature. The reaction mixture was heated at reflux for 2 h, quenched with saturated NaHCO3 solution, and filtered through Celite®. The filtrate was extracted with ethyl acetate. The combined organics were dried and concentrated, and the residue was purified by silica gel column chromatography to give the title compound (280 mg) as a colorless oil. LCMS m/z=301.4. 1H NMR (400 MHz, CDCl3) δ ppm 0.96-1.06 (m, 2H), 1.14-1.22 (m, 3H), 1.62-1.72 (m, 6H), 2.71 (d, J=6.7 Hz, 2H), 3.94 (s, 3H), 7.39 (d, J=8.1 Hz, 1H), 8.10 (dd, J=8.0, 1.5 Hz, 1H), 8.30 (d, J=1.4 Hz, 1H).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08415484B2
Source datasetuspto-grants-2013_04
ORD IDord-632c69c729be4b4d91a8764113888b91
Source noteuspto-grants-2013_04