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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 707619Generated: October 30, 2026

1,1,1-Trifluoro-3-iodopropane → (4S)-4-{4-Cyano-2-[(3,3,3-trifluoropropyl)sulfonyl]phenyl}-3,6-dimethyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carbonitrile

https://huagongshe.com/reaction/707619

Reaction equation

Participants

RoleNameHCIDCharge
Reactant1,1,1-Trifluoro-3-iodopropaneHCID 156165—
ReactantSodium 5-cyano-2-{(4S)-5-cyano-3,6-dimethyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidin-4-yl}benzenesulfinateHCID 66924241—
SolventDimethylformamideHCID 6228—
Product(4S)-4-{4-Cyano-2-[(3,3,3-trifluoropropyl)sulfonyl]phenyl}-3,6-dimethyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carbonitrileHCID 86650726—

Reaction Conditions

Temperature120 °C

Reaction Steps

The reaction was carried out under argon. Sodium 5-cyano-2-{(4S)-5-cyano-3,6-dimethyl-2-oxo-1-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidin-4-yl}benzenesulfinate (66 mg, 44 μmol; purity 32%) was suspended in DMF (600 μl). 1,1,1-Trifluoro-3-iodopropane (144 mg, 643 μmol; 14.6 eq.) was then added, and the mixture was heated in a closed tube at 120° C. overnight. The mixture was then filtered, and the filtrate was concentrated under reduced pressure. The residue was purified by preparative HPLC (column: Gromsil C-18 10 μm; mobile phase: acetonitrile/water+0.1% TFA 10:90→90:10). The title compound was obtained as a solid (7.4 mg, 30% of theory).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS09174997B2
Source datasetuspto-grants-2015_11
ORD IDord-1c63a885755a4794aa929e7b8b253160
Source noteuspto-grants-2015_11