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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1473030Generated: October 25, 2026

Triphenylphosphine → tert-Butyl 3-((2-(methylthio)-5-(trifluoromethyl)pyrimidin-4-yl)ethynyl)benzoate

https://huagongshe.com/reaction/1473030

Reaction equation

Participants

RoleNameHCIDCharge
ReactantTriphenylphosphineHCID 11776—
Reactant4-Iodo-2-(methylthio)-5-(trifluoromethyl)pyrimidineHCID 71743393—
ReactantTert-butyl 3-ethynylbenzoateHCID 71743555—
CatalystHCID 178418476HCID 178418476—
SolventDimethylformamideHCID 6228—
Producttert-Butyl 3-((2-(methylthio)-5-(trifluoromethyl)pyrimidin-4-yl)ethynyl)benzoateHCID 71217514—

Reaction Conditions

Temperature120 °C

Reaction Steps

t-Butyl 3-ethynylbenzoate (I17) (1.603 g, 7.93 mmol), 4-iodo-2-(methylthio)-5-(trifluoromethyl)pyrimidine (I14) (1.647 g, 5.15 mmol), PdCl2(PPh3)2 (0.316 g, 0.45 mmol), PPh3 (0.355 g, 1.35 mmol), Cu(I)I (0.232 g, 1.22 mmol) and trethylamine (4.00 mL, 28.7 mmol) were combined in DMF (20 mL) and the resulting mixture heated at 120° C. under microwave irradiation for 25 minutes. The mixture was then concentrated under reduced pressure and purified twice using silica gel column chromatography (10-20% EtOAc/petroleum benzine 40-60° C. then 50-100% DCM/petroleum benzine 40-60° C.) to give the title compound (I18) (0.624 g, 31%) as a yellow solid; 1H NMR (400 MHz, CDCl3) δ 8.73 (d, J=0.8 Hz, 1H), 8.25 (m, 1H), 8.08 (m, 1H), 7.78 (m, 1H), 7.48 (m, 1H), 2.63 (s, 3H), 1.61 (s, 9H).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS09012461B2
Source datasetuspto-grants-2015_04
ORD IDord-39209b54b4fb4e328f6524c5b8c22088
Source noteuspto-grants-2015_04