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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1186955Generated: November 1, 2026

Trifluoroacetic acid → HCID 66643991, compound

https://huagongshe.com/reaction/1186955

Reaction equation

Participants

RoleNameHCIDCharge
ReactantTrifluoroacetic acidHCID 6422—
ReactantTrifluoroacetateHCID 84468—
ReactantMagnesium monoxideHCID 6850729—
Reactant3-Bromo-2-methoxybenzenemethanolHCID 17750316—
CatalystPalladium ChlorideHCID 24290—
SolventMethanolHCID 887—
ProductHCID 66643991HCID 66643991—

Reaction Steps

To a flask charged with (3-bromo-2-methoxyphenyl)methanol (3.0 g, 14 mmol, 1.0 eq) was added thallic trifluoroacetate (10.0 g, 18.4 mmol, 1.3 eq). To above mixture was added trifluoroacetic acid (25 mL). The reaction was stirred at r.t. for 16 hr, then concentrated. The excess TFA was removed using high vacuum pump. To the residue was added palladium chloride (245 mg, 1.38 mmol, 0.1 eq), magnesium oxide (1.10 g, 27.6 mmol, 2.0 eq) and methanol (35 mL). The reaction was flushed with carbon monoxide three times and stirred under CO at r.t. for 2 hr. To this solution was added ethyl acetate. The mixture was filtered through a pad of celite and washed with EtOAc. The filtrate was concentrated and loaded on silica gel column. The fractions containing 5-bromo-4-methoxy-2-benzofuran-1(3H)-one were concentrated. 1H NMR (500 MHz, CDCl3, δ in ppm): 7.72 (1H, aromatic, d, J=8.0 Hz), 7.49 (1H, aromatic, d, J=8.0 Hz), 5.44 (2H, s, CH2 lactone), 4.00 (3H, s, Me). LC-MS (IE, m/z): 244.88 [M+1]+; tR=2.67 min.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08673920B2
Source datasetuspto-grants-2014_03
ORD IDord-72e38cb2273143b6b7641e6627ce1f07
Source noteuspto-grants-2014_03