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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 2040555Generated: November 1, 2026

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

https://huagongshe.com/reaction/2040555

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, filtered through Celite. The filtrate was extracted with ethyl acetate. The combined organics were dried and concentrated, and the residue was purified by column chromatography to give the title compound (280 mg) as colorless oil. LCMS m/z=301.4 [M+H]+. 1H NMR (400 MHz, CDCl3) δ 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 and 1.5 Hz, 1H), 8.30 (d, J=1.4 Hz, 1H).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08580841B2
Source datasetuspto-grants-2013_11
ORD IDord-d7dd3938a6b243748545ecac7b8b6767
Source noteuspto-grants-2013_11