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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1256989Generated: November 1, 2026

4-Cyanobenzoyl chloride → HCID 68707662, compound

https://huagongshe.com/reaction/1256989

Reaction equation

Participants

RoleNameHCIDCharge
Reactant4-Cyanobenzoyl chlorideHCID 80172—
Reactant2-Amino-3-(5-chloro-4,7-dibromo-2H-benzotriazol-2-yl)-2-methylpropionitrileHCID 66619877—
SolventTetrahydrofuranHCID 8028—
ProductHCID 68707662HCID 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

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08461176B2
Source datasetuspto-grants-2013_06
ORD IDord-5425cc7deaac40fca170503bf36650ae
Source noteuspto-grants-2013_06