HuagongsheHuagongshe Chemistry Print Report · For research reference only
4-Cyanobenzoyl chloride → HCID 68707662, compound
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | 4-Cyanobenzoyl chloride | HCID 80172 | — |
| Reactant | 2-Amino-3-(5-chloro-4,7-dibromo-2H-benzotriazol-2-yl)-2-methylpropionitrile | HCID 66619877 | — |
| Solvent | Tetrahydrofuran | HCID 8028 | — |
| Product | HCID 68707662 | HCID 68707662 | — |
Reaction Steps
A solution of 4-cyanobenzoyl chloride (0.16 mmole) in THF was added to a solution of 2-amino-3-(5-chloro-4,7-dibromo-2H-benzotriazol-2-yl)-2-methylpropionitrile (0.075 mmole, described in Example 53) in THF mixed with TEA (3% v./v.). The reaction mixture was stirred 12 hours at room temperature then heated to 45° C. for 6 hours before solvent was evaporated under reduced pressure. The resulting crude product was dissolved in DMSO and purify by semi-preparative HPLC. The desired fractions were collected and evaporated under reduced pressure. The title compound was isolated as solid residue (10.8 mg) that was dissolved in DMSO for further biological evaluation and analyzed by LCMS. MS (ES): M/Z [M+H]=521, RT=0.66 min.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US08461176B2 |
| Source dataset | uspto-grants-2013_06 |
| ORD ID | ord-5425cc7deaac40fca170503bf36650ae |
| Source note | uspto-grants-2013_06 |