HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 43412Generated: October 30, 2026
6-Chloronicotinic acid → (2S)-1-[(6-Chloro-3-pyridinyl)carbonyl]-2-methyl-4-{[4-(trifluoromethyl)phenyl]sulfonyl}piperazine
https://huagongshe.com/reaction/43412
Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | 6-Chloronicotinic acid | HCID 79222 | — |
| Reactant | Diisopropylethylamine | HCID 81531 | — |
| Reactant | Methanaminium, N-((dimethylamino)(3H-1,2,3-triazolo(4,5-b)pyridin-3-yloxy)methylene)-N-methyl-, hexafluorophosphate(1-) (1:1) | HCID 9886157 | — |
| Reactant | (S)-3-Methyl-1-((4-(trifluoromethyl)phenyl)sulfonyl)piperazine | HCID 59152086 | — |
| Solvent | Dimethylformamide | HCID 6228 | — |
| Product | (2S)-1-[(6-Chloro-3-pyridinyl)carbonyl]-2-methyl-4-{[4-(trifluoromethyl)phenyl]sulfonyl}piperazine | HCID 59161366 | 98% |
Reaction Steps
HATU (458 mg, 1.21 mmol) was added to a solution of 6-chloro-3-pyridinecarboxylic acid (supplied by Aldrich) (174 mg, 1.10 mmol) in DMF (4 ml) and the mixture was treated with DIPEA (0.437 ml, 2.50 mmol). This mixture was stirred for ca. 10 min at ambient temperature. (3S)-3-Methyl-1-{[4-(trifluoromethyl)phenyl]sulfonyl}piperazine (may be prepared as described in Description 2) (308 mg, 1.0 mmol) was added and stirring was continued for 1.25 h. The reaction mixture was partitioned between DCM and saturated aqueous NaHCO3 solution (20 ml each). The layers were separated and the aqueous layer was washed with further DCM (2×20 ml). The combined organic layers were concentrated to leave a dark brown gum. Purification by silica chromatography (Biotage SP4, 25S cartridge), eluting with 12-100% ethyl acetate in pentane, gave the title compound (439 mg) as a pale yellow gum.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|
| Patent number | US08536183B2 |
|---|
| Source dataset | uspto-grants-2013_09 |
|---|
| ORD ID | ord-19f26389ec8241b5b8611c084453cac5 |
|---|
| Source note | uspto-grants-2013_09 |
|---|