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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 40927Generated: October 28, 2026

Trifluoroacetic acid → 3-(1H-pyrazol-4-yl)benzonitrile trifluoroacetate

https://huagongshe.com/reaction/40927

Reaction equation

Participants

RoleNameHCIDCharge
ReactantTrifluoroacetic acidHCID 6422—
Reactant3-(1-[2-(trimethylsilyl)ethoxy]methyl-1H-pyrazol-4-yl)benzonitrileHCID 57477667—
Product3-(1H-pyrazol-4-yl)benzonitrile trifluoroacetateHCID 66597404—

Reaction Conditions

Temperature120 °C

Reaction Steps

A solution of 3-(1-[2-(trimethylsilyl)ethoxy]methyl-1H-pyrazol-4-yl)benzonitrile (110.0 mg, 0.0003673 mol) was taken up in TFA (3.0 mL, 0.039 mol) and the mixture was heated in microwave at 120° C. for 3 min. The reaction mixture was allowed to cool to rt, and then concentrated to give a crude residue. The product was purified by HPLC on a C-18 column eluting with a water/ACN gradient containing 0.2% TFA to give 3-(1H-pyrazol-4-yl)benzonitrile trifluoroacetate as an amorphous white solid, LC/MS (M+H)+: 170.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08530485B2
Source datasetuspto-grants-2013_09
ORD IDord-d3e9ea6a93214955b9df4002eda75214
Source noteuspto-grants-2013_09