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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1921124Generated: October 26, 2026

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

https://huagongshe.com/reaction/1921124

Reaction equation

Participants

RoleNameHCIDCharge
ReactantMethyl acetoacetateHCID 7757—
Reactant4-CyanobenzaldehydeHCID 66042—
Reactant3-(Trifluoromethyl)phenylthioureaHCID 735844—
SolventTetrahydrofuranHCID 8028—
ProductMethyl 4-(4-cyanophenyl)-6-methyl-2-thioxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydro-5-pyrimidinecarboxylateHCID 57762471—

Reaction Steps

3-Trifluoromethylphenyl thiourea (200 mg, 0.91 mmol), 4-cyanobenzaldehyde (238.2 mg, 1.82 mmol) and methyl acetoacetate (211 mg, 1.82 mmol) are dissolved in 5 ml THF. Ethyl polyphosphate (0.30 g) is added and the reaction mixture is stirred at reflux temperature overnight. After cooling to room temperature, the reaction is quenched with 10 ml of water and extracted with 10 ml ethyl acetate (2×). The combined organic layers are dried with sodium sulfate and the solvent is removed in vacuo. The product is purified via preparative HPLC (RP18-column; eluent: acetonitrile-water, gradient 10:90 to 90:10).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08173665B2
Source datasetuspto-grants-2012_05
ORD IDord-332f389b0d0e438cb4633ba01be8009f
Source noteuspto-grants-2012_05