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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 221293Generated: October 25, 2026

N-Fluorobenzenesulfonimide → 4-Chloro-5-fluoro-7H-pyrrolo(2,3-d)pyrimidine

https://huagongshe.com/reaction/221293

Reaction equation

Participants

RoleNameHCIDCharge
ReactantN-FluorobenzenesulfonimideHCID 588007—
Reactant1-Fluoro-4-hydroxy-1,4-diazoniabicyclo[2.2.2]octane bis(tetrafluoroborate)HCID 2737329—
Reactant5-Bromo-4-chloro-7H-pyrrolo[2,3-d]pyrimidineHCID 5380710—
ReactantButyllithiumHCID 178418339—
SolventTetrahydrofuranHCID 8028—
Product4-Chloro-5-fluoro-7H-pyrrolo(2,3-d)pyrimidineHCID 11321224—

Reaction Steps

A solution of 4-chloro-5-bromo-7H-pyrrolo[2,3-d]pyrimidine (800 mg, 3.45 mmol) in THF (50 mL) at −78° C. was treated with n-BuLi (1.6 M in hexane, 2.2 eq, 7.6 mmol, 4.7 mL) dropwise, and stirred for 30 minutes at the same temperature. The mixture was treated with a solution of ACCUFLUOR® NFSi (2.0 eq, 7 mmol, 2.2 g) in THF (10 mL). The reaction mixture was allowed to warm to room temperature, was stirred for 10 h, and then concentrated to dryness. The residue was dissolved in EtOAc (100 mL), washed with water (3×15 mL) and brine (15 mL), dried with Na2SO4, and purified by reverse phase HPLC (10×250 mm C18 Luna column, 4.7 mL/min, 10-90% acetonitrile in water over 20 min) to provide intermediate compound 1. ESI-MS m/z=172.1 (MH+).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08207153B2
Source datasetuspto-grants-2012_06
ORD IDord-b2208915e10544eab075d3ea59de5883
Source noteuspto-grants-2012_06