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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 2362292Generated: October 25, 2026

Hydrochloric Acid → Methyl 4-(4-cyanophenyl)-6-methyl-2-thioxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

https://huagongshe.com/reaction/2362292

Reaction equation

Participants

RoleNameHCIDCharge
ReactantHydrochloric AcidHCID 313—
ReactantMethyl acetoacetateHCID 7757—
ReactantTetrahydrofuranHCID 8028—
Reactant3-(Trifluoromethyl)phenylthioureaHCID 735844—
ReactantTrimethylsilylphosphateHCID 18172808—
ProductMethyl 4-(4-cyanophenyl)-6-methyl-2-thioxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydro-5-pyrimidinecarboxylateHCID 57762471—

Reaction Conditions

Temperature70 °C

Reaction Steps

To a solution of 3-trifluoromethylphenylthiourea (2.2 g, 10 mmol) 4-cyanobenzaldehyde (1.4 g, 11 mmol) and methyl acetoacetate (1.2 mL, 11 mmol) in THF (40 mL) was added trimethylsilylphosphate (1.8 g) and the mixture heated at 70° C. After 17 hours, the reaction mixture was allowed to cool, then poured onto 0.5 M HCl (200 mL) and extracted into EtOAc. The organic phase was washed with water, then brine, dried (Na2SO4) and concentrated in vacuo. The resulting residue was purified by silica gel chromatography eluting with a gradient of 20-30% EtOAc in cyclohexane Appropriate fractions were combined and concentrated in vacuo to yield the title compound as a white foam (3.7 g).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08691826B2
Source datasetuspto-grants-2014_04
ORD IDord-eb8164a16116482ab05d2e84facc4359
Source noteuspto-grants-2014_04