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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 474824Generated: October 31, 2026

Methyl iodide → 5-({[1-Methyl-4-oxo-5-(5-pyrimidinylmethyl)-1,4-dihydro-2-pyrimidinyl]thio}methyl)-2-{[3-(trifluoromethyl)phenyl]oxy}benzonitrile

https://huagongshe.com/reaction/474824

Reaction equation

Participants

RoleNameHCIDCharge
ReactantMethyl iodideHCID 6328—
ReactantDiisopropylethylamineHCID 81531—
Reactant5-(Pyrimid-5-ylmethyl)-2-thiouracilHCID 10966039—
Reactant5-(Chloromethyl)-{[3-(trifluoromethyl)phenyl]oxy}benzonitrileHCID 66825358—
CatalystZinc bromideHCID 10421208—
SolventDichloromethaneHCID 6344—
SolventN-methyl-2-pyrrolidoneHCID 13387—
Product5-({[1-Methyl-4-oxo-5-(5-pyrimidinylmethyl)-1,4-dihydro-2-pyrimidinyl]thio}methyl)-2-{[3-(trifluoromethyl)phenyl]oxy}benzonitrileHCID 677748479.8%

Reaction Conditions

Temperature60 °C

Reaction Steps

To a solution of 5-(5-pyrimidinylmethyl)-2-thioxo-2,3-dihydro-4(1H)-pyrimidinone (70.7 mg, 0.321 mmol) and DIPEA (0.084 ml, 0.481 mmol) in DCM (2 ml) was added 5-(chloromethyl)-2-{[3-(trifluoromethyl)phenyl]oxy}benzonitrile (100 mg, 0.321 mmol). The reaction mixture was heated at 60° C. overnight. After removing the solvent by nitrogen, the residue was dissolved in MeCN (4 ml), and NMP (1.5 ml), and ZnBr2 (107 mg, 0.477 mmol) and DIPEA (0.083 ml, 0.477 mmol) were added. The mixture was then stirred at 60° C. for 10 min. And MeI (0.022 mL, 0.353 mmol) was added dropwise, then stirred at 60° C. for 1.5 h. Purification via MDAP then afforded the title compound (16 mg, 8.01% yield). LCMS: rt=2.96 min, [M+H+]=510

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08637536B2
Source datasetuspto-grants-2014_01
ORD IDord-2c8b0243af8c44e2a68bddd6d1ccab52
Source noteuspto-grants-2014_01