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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 2064390Generated: October 26, 2026

Triethyl Phosphate → Allyl(rac)-4-[4-cyano-2-(ethylsulfonyl)phenyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate

https://huagongshe.com/reaction/2064390

Reaction equation

Participants

RoleNameHCIDCharge
ReactantTriethyl PhosphateHCID 6535—
ReactantPhosphorus oxide (P4O10)HCID 14812—
Reactant(3-Trifluoromethylphenyl)ureaHCID 25712—
ReactantAllyl acetoacetateHCID 70701—
Reactant3-(Ethylsulfonyl)-4-formylbenzonitrileHCID 58133833—
Solventtert-Butyl methyl etherHCID 15413—
ProductAllyl(rac)-4-[4-cyano-2-(ethylsulfonyl)phenyl]-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylateHCID 58133859—

Reaction Conditions

Temperature90 °C

Reaction Steps

The reaction was carried out under argon. Triethyl phosphate (0.718 g, 3.9 mmol) and diphosphorus pentoxide (0.511 g) were stirred at 40° C. overnight. The mixture was then diluted with MTBE (30 ml), and 4-formyl-3-(ethylsulfonyl)benzonitrile (0.88 g, 3.94 mmol), 1-[3-(trifluoromethyl)phenyl]urea (0.805 g, 3.94 mmol) and allyl acetoacetate (0.841 g, 5.91 mmol; 1.5 eq.) were added. The mixture was then stirred under reflux for 4 h. The reaction mixture was then concentrated by distillative removal of MTBE and subsequently heated at 90° C. for a further 2 h. For work-up, residual solvent was removed under reduced pressure, and the residue was suspended in MTBE (20 ml) and then filtered off with suction. The solid was washed with MTBE (10 ml). This gave 1.34 g (42% of theory) of the title compound.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08288402B2
Source datasetuspto-grants-2012_10
ORD IDord-7d507b4c3c0e45c5966a6f98bce5984c
Source noteuspto-grants-2012_10