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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 446141Generated: October 25, 2026

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide → 5-(tert-Butyl)-3,3-dimethyl-6-nitrobenzofuran-2(3H)-one

https://huagongshe.com/reaction/446141

Reaction equation

Participants

RoleNameHCIDCharge
Reactant1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 15908—
Reactant2-(5-Tert-butyl-2-hydroxy-4-nitrophenyl)-2-methylpropanoic acidHCID 59544150—
SolventTetrahydrofuranHCID 8028—
Product5-(tert-Butyl)-3,3-dimethyl-6-nitrobenzofuran-2(3H)-oneHCID 59544154—

Reaction Conditions

Temperature30 °C

Reaction Steps

To a solution of compound 18 (7.10 g, 25.2 mmol) in 710 mL of anhydrous THF was added EDCI (14.5 g, 75.6 mmol). The resulting suspension was left stirring at 30° C. overnight. The precipitate was filtered and thoroughly washed with DCM. The filtrate was concentrated to dryness and the residue was dissolved in DCM (100 mL). The solution was washed with water (50 mL×2) and brine (50 mL×1). The DCM layer was then dried over anhydrous Na2SO4 and concentrated to give the crude product, which was purified via column chromatography on silica gel (Petroleum ether/EtOAc 200:1→100:1→50:1) to give compound 19 as a white solid. 1H NMR (CDCl3; 400 MHz) δ 7.36 (s), δ 7.10 (s), δ 1.53 (s), δ 1.41 (s).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08476442B2
Source datasetuspto-grants-2013_07
ORD IDord-f1cbfc004dc74e56b8a9ebbb0701dcac
Source noteuspto-grants-2013_07