HuagongsheHuagongshe Chemistry Print Report · For research reference only
N-Fluorobenzenesulfonimide → 4-Chloro-5-fluoro-7H-pyrrolo(2,3-d)pyrimidine
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | N-Fluorobenzenesulfonimide | HCID 588007 | — |
| Reactant | 1-Fluoro-4-hydroxy-1,4-diazoniabicyclo[2.2.2]octane bis(tetrafluoroborate) | HCID 2737329 | — |
| Reactant | 5-Bromo-4-chloro-7H-pyrrolo[2,3-d]pyrimidine | HCID 5380710 | — |
| Reactant | Butyllithium | HCID 178418339 | — |
| Solvent | Tetrahydrofuran | HCID 8028 | — |
| Product | 4-Chloro-5-fluoro-7H-pyrrolo(2,3-d)pyrimidine | HCID 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
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US08207153B2 |
| Source dataset | uspto-grants-2012_06 |
| ORD ID | ord-b2208915e10544eab075d3ea59de5883 |
| Source note | uspto-grants-2012_06 |