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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1165844Generated: October 25, 2026

Thioglycolic Acid → alpha-(4-chlorophenyl)-4-(4,5-dihydro-3,5-dioxo-1,2,4-triazin-2(3H)-yl)-3-methoxybenzeneacetonitrile

https://huagongshe.com/reaction/1165844

Reaction equation

Participants

RoleNameHCIDCharge
ReactantThioglycolic AcidHCID 1133—
Reactant2-[4-[(4-Chlorophenyl)cyanomethyl]3-methoxyphenyl]-2,3,4,5-tetrahydro-3,5-dioxo-1,2,4-triazine-6-carboxylic acidHCID 23035195—
SolventWaterHCID 962—
Productalpha-(4-chlorophenyl)-4-(4,5-dihydro-3,5-dioxo-1,2,4-triazin-2(3H)-yl)-3-methoxybenzeneacetonitrileHCID 23035191—

Reaction Conditions

Temperature175 °C

Reaction Steps

A mixture of 4.2 parts of 2-[4-[(4-chlorophenyl)cyanomethyl]-3-methoxyphenyl]-2,3,4,5-tetrahydro-3,5-dioxo-1,2,4-triazine-6-carboxylic acid and 13 parts of 2-mercaptoacetic acid is stirred and heated for 2 hours at 175° C. After cooling, 150 parts of water are added. The aqueous phase is decanted and the remaining oil is stirred in water. The whole is treated with sodium hydrogen carbonate. The product is extracted with a mixture of trichloromethane and methanol (90:10 by volume). The extract is dried, filtered and evaporated. The residue is purified by column chromatography over silica gel using a mixture of trichloromethane and methanol (97:3 by volume) as eluent. The pure fractions are collected and the eluent is evaporated in vacuo. The residue is crystallized from 8 parts of acetonitrile. The product is filtered off, washed with 2,2'-oxybispropane and dried, yielding α-(4-chlorophenyl)-4-(4,5-dihydro-3,5-dioxo-1,2,4-triazin-2(3H)-yl)-3-methoxybenzeneacetonitrile (intermediate 2).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS04912106
Source datasetuspto-grants-1990_03
ORD IDord-3e68c3902ff446e89de9a2d3d9f1884a
Source noteuspto-grants-1990_03