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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1978668Generated: October 31, 2026

Water → HCID 21995699, compound

https://huagongshe.com/reaction/1978668

Reaction equation

Participants

RoleNameHCIDCharge
ReactantWaterHCID 962—
ReactantThionyl ChlorideHCID 24386—
ReactantHCID 18472308HCID 18472308—
ReactantHCID 21995734HCID 21995734—
CatalystDimethylformamideHCID 6228—
SolventTetrahydrofuranHCID 8028—
ProductHCID 21995699HCID 21995699—

Reaction Steps

In THF (5.2 ml) was dissolved 7-(4-ethylthiophenyl)-1,1-dioxo-2,3-dihydro-1-benzothiepine-4-carboxylic acid (260 mg). To the mixture were added at room temperature thionyl chloride (0.06 ml) and DMF (one drop), and the mixture was stirred at room temperature for 1 hour. The reaction mixture was added dropwise to a solution of 4-[[N-(3-ethoxypropyl)-N-methylamino]methyl]aniline (0.58 ml) in THF (5.2 ml), and the mixture was stirred at room temperature for 2 hours. The reaction mixture added to water, and the mixture was extracted with ethyl acetate, washed with saturated brine and dried with magnesium sulfate. Under reduced pressure, the solvent was evaporated, and the residue was purified with silica gel column chromatography (ethyl acetate/ethanol=3/1) and recrystallized from ethanol to give 7-(4-ethylthiophenyl)-N-[4-[[N-(3-ethoxypropyl)-N-methylamino]methyl]phenyl]-1,1-dioxo-2,3-dihydro-1-benzothiepine-4-carboxamide (Compound 82) (115 mg).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS06235771B1
Source datasetuspto-grants-2001_05
ORD IDord-1bdbc5ced34542d48c0a9cf7713bd5a5
Source noteuspto-grants-2001_05