HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 857513Generated: October 29, 2026
Acetone → 6-(2-Chlorophenylamino)-7-fluoro-3-methyl-benzo[c]-isoxazole-5-carboxylic acid methyl ester
https://huagongshe.com/reaction/857513
Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Acetone | HCID 180 | — |
| Reactant | Sodium Azide | HCID 33557 | — |
| Reactant | 5-Acetyl-2-(2-chlorophenylamino)-3,4-difluorobenzoic acid methyl ester | HCID 86596773 | — |
| Solvent | Water | HCID 962 | — |
| Solvent | Ethyl Acetate | HCID 8857 | — |
| Product | 6-(2-Chlorophenylamino)-7-fluoro-3-methyl-benzo[c]-isoxazole-5-carboxylic acid methyl ester | HCID 68860509 | 77% |
Reaction Steps
Sodium azide (128 mg, 1.95 mmol) was added to a mixture of 5-acetyl-2-(2-chlorophenylamino)-3,4-difluorobenzoic acid methyl ester (6) (601 mg, 1.59 mmol) in 3:1 acetone:water (16 ml) and heated to reflux. After 16 hours, the reaction mixture was cooled to room temperature, and diluted with EtOAc and water. The organic layer was washed with water, dried (MgSO4) and concentrated. The resulting residue was diluted with water (8 mL) and heated to reflux. After 5 hours, the mixture was cooled to room temperature and diluted with EtOAc. The organic layer was washed with water, dried (MgSO4) and concentrated. Purification by flash column chromatography using the Biotage system (20% EtOAc in hexanes) provided the desired product (55) (410 mg, 77%).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|
| Patent number | US07144907B2 |
|---|
| Source dataset | uspto-grants-2006_12 |
|---|
| ORD ID | ord-c46452fe21c241a08c7ead59906e6c01 |
|---|
| Source note | uspto-grants-2006_12 |
|---|