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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1853485Generated: October 31, 2026

Thiophenol → 2-(phenylthio)-4-(5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidine-5-carbonitrile

https://huagongshe.com/reaction/1853485

Reaction equation

Participants

RoleNameHCIDCharge
ReactantThiophenolHCID 7969—
ReactantDiisopropylethylamineHCID 81531—
ReactantLithium hydroxide, monohydrateHCID 168937—
Reactant2-Methylsulfonyl-4-[1-(p-tolylsulfonyl)-5-(trifluoromethyl)-pyrrolo[5,4-b]pyridin-3-yl]pyrimidine-5-carbonitrileHCID 59414325—
SolventWaterHCID 962—
SolventTetrahydrofuranHCID 8028—
Product2-(phenylthio)-4-(5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidine-5-carbonitrileHCID 5747165547%

Reaction Steps

2-(methylsulfonyl)-4-(1-tosyl-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidine-5-carbonitrile (75 mg, 0.15 mmol) was heated with benzenethiol (31 uL, 0.30 mmol, 2.0 Eq.) and DIPEA (78 uL, 0.45 mmol, 3.0 Eq.) in THF (2 mL) under microwave conditions at 100° C. for 10 minutes. A solution of LiOH.H2O (32 mg, 0.75 mmol, 5.0 Eq.) in water (1 mL) was added to the mixture and the reaction left to stir for 90 minutes. The reaction was partitioned between EtOAc and water and the aqueous phase extracted with EtOAc. The combined organic layers were dried (Na2SO4) and concentrated in vacuo. The resultant solid was purified by column chromatography (ISCO Companion™, 12 g column, 0-30% EtOAc/Petroleum Ether) and lyophilized to give the title compound as a pale yellow solid (28 mg, 47% over 2 steps).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08962642B2
Source datasetuspto-grants-2015_02
ORD IDord-0f3cf166e89f472ba452329a862f05eb
Source noteuspto-grants-2015_02