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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1484520Generated: October 31, 2026

Sodium Carbonate → HCID 90023446, compound

https://huagongshe.com/reaction/1484520

Reaction equation

Participants

RoleNameHCIDCharge
ReactantSodium CarbonateHCID 10340—
ReactantTriethyl orthoacetateHCID 66221—
Reactantp-Toluenesulfonic acid monohydrateHCID 521998—
ReactantHCID 90015121HCID 90015121—
SolventEthanolHCID 702—
SolventWaterHCID 962—
SolventEthyl AcetateHCID 8857—
ProductHCID 90023446HCID 90023446—

Reaction Steps

The crude N-{6-[(3,3,7-trimethyl-2,3-dihydro-1-benzofuran-4-yl)oxy]pyridin-3-yl}hydrazinecarboxamide (330 mg, 1.0 mmol) was suspended in EtOH (4.5 mL) and triethyl orthoacetate (3 equiv) was added, followed by p-toluenesulfonic acid hydrate (0.1 equiv). The resulting solution was heated to reflux for 24 hrs and then evaporated to dryness. Since the reaction was not complete, the residue was re-dissolved in EtOH (4.5 mL), more triethyl orthoacetate (3 equiv) and p-toluenesulfonic acid hydrate (0.1 equiv) were added and the solution stirred at reflux for additional 18 hours. The mixture was cooled to room temperature and diluted with ethyl acetate and water. Saturated Na2CO3 solution was added the layers were separated and the organic washed with brine, dried over Na2SO4 and evaporated to dryness. The residue was purified via silica chromatography, eluting with cyclohexane/ethyl acetate from 5/5 to 3/7. The fractions containing the product were combined and evaporated to dryness. The residue was further purified by triturating with methyl tert-butyl ether/n-heptanes. The solid was collected and washed with n-heptanes to afford 5-methyl-4-{6-[(3,3,7-trimethyl-2,3-dihydro-1-benzofuran-4-yl)oxy]pyridin-3-yl}-2,4-dihydro-3H-1,2,4-triazol-3-one as a white solid (177 mg).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS09422252B2
Source datasetuspto-grants-2016_08
ORD IDord-4bca1c80254945d3a2d613d50ee89c33
Source noteuspto-grants-2016_08