HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 590032Generated: October 26, 2026
Lithium Hexamethyldisilazide → N-(3-(2-(2-Chloropyrimidin-4-yl)acetyl)-2-fluorophenyl)-2,5-difluorobenzenesulfonamide
https://huagongshe.com/reaction/590032
Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Lithium Hexamethyldisilazide | HCID 2733832 | — |
| Reactant | 2-Chloro-4-methylpyrimidine | HCID 11629607 | — |
| Reactant | 3-(2,5-Difluoro-benzenesulfonylamino)-2-fluoro-benzoic acid methyl ester | HCID 58316996 | — |
| Solvent | Tetrahydrofuran | HCID 8028 | — |
| Product | N-(3-(2-(2-Chloropyrimidin-4-yl)acetyl)-2-fluorophenyl)-2,5-difluorobenzenesulfonamide | HCID 86636576 | 33.2% |
Reaction Steps
To a solution of methyl 3-(2,5-difluorophenylsulfonamido)-2-fluorobenzoate (44 g, 128 mmol (from a compilation of batches prepared as described above) in dry THF (500 mL) at −10° C., LiHMDS (1M in THF, 448 mmol, 448 mL) was added dropwise and the solution was allowed to stir for 1 h at 0° C. A solution of 2-chloro-4-methylpyrimidine (19.4 g, 154 mmol) in THF (50 mL) was then added dropwise to the solution of ester and base at 0° C. over 20 min. The solution was allowed to stir 1 h at rt. TLC showed the reaction was complete. The reaction was quenched by addition of the saturated aqueous NH4Cl (300 mL) at 0° C. The reaction mixture was extracted with EtOAc (500 mL×3). The combined organic layers were washed with water and brine successively, dried over Na2SO4, filtered and concentrated under reduced pressure to give the crude product, which was purified by flash column on silica gel, eluting with DCM. This solution was evaporated to obtain a solid. The orange solid was triturated with a small amount of EtOAc and filtered, rinsing with diethyl ether to give the title compound (18.6 g, 33.2% yield). 1H NMR (400 MHz, CDCl3) δ ppm 13.70-13.74 (br, 1H), 8.59 (d, J=5.29 Hz, 0.3H), 8.42 (d, J=5.51 Hz, 1H), 7.75-7.79 (m, 0.3H), 7.51-7.66 (m, 3.6H), 7.12-7.28 (m, 6.6H), 6.91 (d, J=5.51 Hz, 1H), 6.03 (s, 1H), 4.37 (s, 0.6H). MS (ES+): 442 [M+H]+
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|
| Patent number | US09233956B2 |
|---|
| Source dataset | uspto-grants-2016_01 |
|---|
| ORD ID | ord-784b8977dc5f41129925cc2a3e7bb691 |
|---|
| Source note | uspto-grants-2016_01 |
|---|