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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1486587Generated: October 29, 2026

Acetic Acid → HCID 178450685, compound

https://huagongshe.com/reaction/1486587

Reaction equation

Participants

RoleNameHCIDCharge
ReactantAcetic AcidHCID 176—
ReactantHydrochloric AcidHCID 313—
ReactantTert-butyl 4-formylbenzoateHCID 2751588—
Reactant4-(5-amino-1H-1,2,4-triazol-3-ylamino)-2,6-dichlorobenzonitrileHCID 72706756—
SolventMethanolHCID 887—
ProductHCID 178450685HCID 17845068553.2%

Reaction Steps

To a solution of 4-(5-Amino-1H-[1,2,4]triazol-3-ylamino)-2,6-dichloro-benzonitrile (60 mg, 223 μmol) in MeOH (3.5 ml) was added tert-butyl 4-formylbenzoate (55.2 mg, 268 μmol) followed by acetic acid (21.0 mg, 20 μl, 349 μmol). The reaction was stirred at room temperature for 15 minutes, 2-picoline borane complex (32.2 mg, 349 μmol) was added and the stirring was continued for 4 days. The reaction mixture was poured into 0.1N HCl solution (20 ml) and let stand. The resulting suspension was filtered to collect the solid. Purification by super fluid chromatography and trituration from acetonitrile afforded a white solid as desired product (54.5 mg, 53% yield). MS +m/z: 459 (M+H)+

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS09428469B2
Source datasetuspto-grants-2016_08
ORD IDord-6f4e9985294443d3b01cef9b016a78cc
Source noteuspto-grants-2016_08