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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 541949Generated: October 29, 2026

Trifluoroacetic acid → HCID 66896930, compound

https://huagongshe.com/reaction/541949

Reaction equation

Participants

RoleNameHCIDCharge
ReactantTrifluoroacetic acidHCID 6422—
ReactantHCID 86636297HCID 86636297—
SolventAcetonitrileHCID 6342—
ProductHCID 66896930HCID 6689693032%

Reaction Conditions

Temperature70 °C

Reaction Steps

A solution of tert-butyl {3-[(acetyl {3-[(2,5-dichloropyrimidin-4-yl)amino]benzyl}amino)methyl]phenyl}carbamate trifluoroacetate (10 mg, 16 μmol) in acetonitrile (1.5 mL) was treated with trifluoroacetic acid (75 μL, 0.97 mmol) and heated at 70° C. for 16 h. The reaction mixture was cooled and purified by preparative LCMS to give the desired product (2.5 mg, 32%) as a solid. LCMS for C20H19ClN5O (M+H)+: m/z=380.0. 1H NMR (300 MHz, CD3OD): δ 8.14 (d, J=1.8 Hz, 1H), 7.78 (s, 1H), 7.63-7.61 (m, 1H), 7.40-7.21 (m, 2H), 7.19-7.05 (m, 3H), 6.98-6.96 (m, 1H), 4.71-4.62 (m, 4H).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08871753B2
Source datasetuspto-grants-2014_10
ORD IDord-663052cab80e4f02bb20219b19b273fb
Source noteuspto-grants-2014_10