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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 216247Generated: October 30, 2026

Cesium fluoride → 5-{6-[2-(2,4-Dichloro-phenyl)-ethylamino]-2-methoxy-pyrimidin-4-yl}-thiophene-2-carboxylic acid

https://huagongshe.com/reaction/216247

Reaction equation

Participants

RoleNameHCIDCharge
ReactantCesium fluorideHCID 25953—
Reactant6-Chloro-N-[2-(2,4-dichlorophenyl)ethyl]-2-methoxy-4-pyrimidinamineHCID 57636004—
Reactant5-(5,5-Dimethyl-[1,3,2]dioxaborinan-2-yl)-thiophene-2-carboxylic acidHCID 68932577—
CatalystTetrakis(triphenylphosphine)palladiumHCID 11979704—
SolventWaterHCID 962—
Solvent1,2-DimethoxyethaneHCID 8071—
Product5-{6-[2-(2,4-Dichloro-phenyl)-ethylamino]-2-methoxy-pyrimidin-4-yl}-thiophene-2-carboxylic acidHCID 5763599953.7%

Reaction Conditions

Temperature85 °C

Reaction Steps

A mixture of (6-chloro-2-methoxy-pyrimidin-4-yl)-[2-(2,4-dichloro-phenyl)-ethyl]-amine [277 mg, 0.83 mmol, Intermediate (44)], 5-(5,5-dimethyl-[1,3,2]dioxaborinan-2-yl)-thiophene-2-carboxylic acid (300 mg, 1.25 mmol), cesium fluoride (378 mg, 2.5 mmol) and tetrakis(triphenylphosphine) palladium (77 mg, 0.07 mmol) in water (2 mL) and ethylene glycol dimethyl ether (8 mL) is degassed with bubbling nitrogen for 5 minutes and is heated at 85° C. for 16 hours. The reaction mixture is cooled, diluted with water (150 mL) and brine (50 mL), and extracted three times with EtOAc (150 mL) and the extracts are concentrated in vacuo. The residue is subjected to flash column chromatography on silica (10 g) eluting with 0 to 15% MeOH in ethyl acetate. The product is triturated twice with heptanes (5 mL) and twice with ether (5 mL) and dried to afford 5-{6-[2-(2,4-dichloro-phenyl)-ethylamino]-2-methoxy-pyrimidin-4-yl}-thiophene-2-carboxylic acid (189 mg, Example 87) as a solid. MS: 424 (M+H); 1H NMR [300 MHz, (CD3)2SO]: δ 13.2 (1H, s); 7.7 (3H, m); 7.6 (1H, s); 7.35 (2H, s); 6.6 (1H, s); 4.85 (3H, s); 3.6 (2H, m); 3 (2H, t). IC50=0.16 nM

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08193183B2
Source datasetuspto-grants-2012_06
ORD IDord-4e70a43400f94479baf642b8c5ee736f
Source noteuspto-grants-2012_06