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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1529095Generated: November 4, 2026

Methyl 4-bromobenzoate → 5-(4-Bromophenyl)-3-methylisoxazole

https://huagongshe.com/reaction/1529095

Reaction equation

Participants

RoleNameHCIDCharge
ReactantMethyl 4-bromobenzoateHCID 12081—
ReactantAcetone, oximeHCID 67180—
ReactantButyllithiumHCID 178418339—
SolventTetrahydrofuranHCID 8028—
Product5-(4-Bromophenyl)-3-methylisoxazoleHCID 21034016—

Reaction Steps

Acetone oxime (4.85 g, 66.4 mmol) was dissolved in THF (100 mL) and cooled to 0° C. n-Butyllithium (1.6M in hexanes, 81 mL, 129.6 mmol) was added and the reaction was stirred at room temperature for 1 hour. 4-Bromo-benzoic acid methyl ester (9.4 g, 43.7 mmol) in THF (30 mL) and the reaction stirred for 24 hours. The mixture was submitted to standard aqueous workup then dried over MgSO4 and evaporated. The residue was taken up in EtOH and HCl (4N in dioxane, 1 mL) was added. The reaction was heated to 60° C. and monitored by analytical TLC. When completed, the reaction mixture was concentrated to dryness to afford the title compound, which was used directly in the next step.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS09090573B2
Source datasetuspto-grants-2015_07
ORD IDord-fac0ee08e36a49ce8a4c91f529a91eec
Source noteuspto-grants-2015_07