Back
HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 402913Generated: October 28, 2026

Acetic Acid → (5-Formyl-2-methyl-benzofuran-3-yl)-acetic acid ethyl ester

https://huagongshe.com/reaction/402913

Reaction equation

Participants

RoleNameHCIDCharge
ReactantAcetic AcidHCID 176—
ReactantPyridineHCID 1049—
Reactant(5-Cyano-2-methyl-benzofuran-3-yl)-acetic acid ethyl esterHCID 59192033—
CatalystNickelHCID 935—
SolventWaterHCID 962—
Product(5-Formyl-2-methyl-benzofuran-3-yl)-acetic acid ethyl esterHCID 5919201160%

Reaction Conditions

Temperature100 °C

Reaction Steps

A mixture of (5-cyano-2-methyl-benzofuran-3-yl)-acetic acid ethyl ester (4.31 g, 17.7 mmol), NaPH2O2.H2O (14.99 g, 141 mmol) and Raney nickel (3.06 g, 35.4 mmol) in a mixture of water (50 mL), acetic acid (50 mL) and pyridine (100 mL) is heated for 2 h at 100° C. under an argon atmosphere. After cooling to room temperature the reaction mixture is filtered over hyflo and the filtrate concentrated by rotary evaporation. The residue is partitioned between water and TBME, the layers are separated and the aqueous phase is extracted with TBME. The combined organic layers are washed with a 1 M aqueous HCl solution, a saturated aqueous NaHCO3 solution and brine. After drying over Na2SO4 and evaporation of the solvent in vacuo the crude product is obtained as a brown oil. Further purification by flash column chromatography (silica gel gradient of cyclohexane/EtOAc 100:0 to 6:1) affords the title compound as colorless crystals (2.59 g, 10.5 mmol, 60%). 1H NMR (400 MHz, CDCl3, 298 K): δ=10.08 (s, 1H), 8.07 (s, 1H), 7.82 (d, J=8.9 Hz, 1H), 7.52 (d, J=8.9 Hz, 1H), 4.19 (q, J=7.1 Hz, 2H), 3.66 (s, 2H), 2.49 (s, 3H), 1.27 (t, J=7.1 Hz, 3H). MS (ES+): 247 (M(C14H14O4)+H)+.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08742132B2
Source datasetuspto-grants-2014_06
ORD IDord-15235aa523b14dcb970559e68a38ed74
Source noteuspto-grants-2014_06