Back
HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 500881Generated: November 4, 2026

Phenylacetylene → 4-Chloro-6-(phenylethynyl)pyrimidin-5-amine

https://huagongshe.com/reaction/500881

Reaction equation

Participants

RoleNameHCIDCharge
ReactantPhenylacetyleneHCID 10821—
Reactant5-Amino-4,6-dichloropyrimidineHCID 79434—
ReactantDiisopropylethylamineHCID 81531—
CatalystCopper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 24350—
CatalystHCID 178418397HCID 178418397—
SolventDichloromethaneHCID 6344—
Solvent1,2-DimethoxyethaneHCID 8071—
Product4-Chloro-6-(phenylethynyl)pyrimidin-5-amineHCID 5942457822%

Reaction Steps

Ethynylbenzene (0.092 mL, 0.92 mmol) was added to a solution of 4,6-dichloropyrimidin-5-amine (100 mg, 0.61 mmol), Pd(PPh3)4 (140 mg, 0.12 mmol), CuI (116 mg, 0.61 mmol) and DIPEA (0.5 mL, 3.05 mmol) in DME (6.1 mL). The reaction mixture was stirred in the dark over night at room temperature, diluted with DCM, washed sequentially with dilute aqueous citric acid and water, dried over anhydrous Na2SO4 and concentrated under reduce pressure. The residue was purified by flash chromatography, eluent EtOAc/hexane (1:3), to afford title compound 251 (30.8 mg, 22% yield) as a yellow solid. MS (m/z): 230.1 (100.0%), 232.1 (33%) (M+1).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS07772247B2
Source datasetuspto-grants-2010_08
ORD IDord-db8c879f71d0488fbaddec602ad6c68b
Source noteuspto-grants-2010_08