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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1039208Generated: November 4, 2026

Triethylamine → 5-[5-(2-Methoxy-phenyl)-isoxazol-3-yl]-pentanoic acid ethyl ester

https://huagongshe.com/reaction/1039208

Reaction equation

Participants

RoleNameHCIDCharge
ReactantTriethylamineHCID 8471—
Reactant1,4-DiisocyanatobenzeneHCID 61009—
Reactant1-Ethynyl-2-methoxybenzeneHCID 582912—
ReactantEthyl 6-nitrohexanoateHCID 13717120—
SolventTolueneHCID 1140—
Product5-[5-(2-Methoxy-phenyl)-isoxazol-3-yl]-pentanoic acid ethyl esterHCID 5916775497.9%

Reaction Steps

Add 1,4-phenylenediisocyanate (14.5 g, 90.8 mmol) to a stirred solution of 1-ethynyl-2-methoxy-benzene (4.0 g, 30.3 mmol) and 6-nitro-hexanoic acid ethyl ester (8.6 g, 45.4 mmol) in toluene (300 mL, anhydrous) and stir under N2. Add triethylamine (12.7 mL, 90.8 mmol) and heat to reflux under N2. After 2.5 hours, filter mixture through a pad of Celite® and rinse with toluene. Concentrate to get 9 grams of a orange oil. Adsorb on SiO2 and purify the residue by flash chromatography on silica gel eluting with 0-20% EtOAc/hexanes to afford the title compound (14.0 g, 74%).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08552039B2
Source datasetuspto-grants-2013_10
ORD IDord-9c04656f75d44109960c7483bb5ce314
Source noteuspto-grants-2013_10