Back
HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1616599Generated: November 1, 2026

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

https://huagongshe.com/reaction/1616599

Reaction equation

Participants

RoleNameHCIDCharge
ReactantTriethylamineHCID 8471—
Reactant1,4-DiisocyanatobenzeneHCID 61009—
ReactantEthyl 6-nitrohexanoateHCID 13717120—
Reactant4-Chloro-2-ethynyl-1-methoxybenzeneHCID 23260703—
SolventTolueneHCID 1140—
Product5-[5-(5-Chloro-2-methoxy-phenyl)-isoxazol-3-yl]-pentanoic acid ethyl esterHCID 5916776464.5%

Reaction Steps

Add 1,4-phenylenediisocyanate (8.41 g, 52.5 mmol) to a stirred solution of 4-chloro-2-ethynyl-1-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 at room temperature under N2. Add triethylamine (7.3 mL, 52.5 mmol) and heat to reflux under N2 overnight. Filter mixture through a pad of Celite® and rinse with toluene. Concentrate to get 6.6 g of a orange oil. Adsorb on SiO2 and purify the residue by flash chromatography on silica gel eluting with 0-40% EtOAc/hexanes to afford the title compound (4.51 g, 76%). MS (IS) 338 (M+1)+.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08765796B2
Source datasetuspto-grants-2014_07
ORD IDord-e510883347944519853b26d7757fc91b
Source noteuspto-grants-2014_07