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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 509003Generated: October 29, 2026

Trifluoroacetic acid → N-(4-chloro-3-(5-oxo-1-(4-(trifluoromethyl)phenyl)-4,5-dihydro-1H-1,2,4-triazol-3-yl)benzyl)-2,2,2-trifluoroacetamide

https://huagongshe.com/reaction/509003

Reaction equation

Participants

RoleNameHCIDCharge
ReactantTrifluoroacetic acidHCID 6422—
Reactant2-Chloro-5-((2,2,2-trifluoroacetamido)methyl)benzoyl isocyanateHCID 90019286—
Reactanttert-Butyl 2-(4-(trifluoromethyl)phenyl)hydrazinecarboxylateHCID 90019516—
SolventDichloromethaneHCID 6344—
ProductN-(4-chloro-3-(5-oxo-1-(4-(trifluoromethyl)phenyl)-4,5-dihydro-1H-1,2,4-triazol-3-yl)benzyl)-2,2,2-trifluoroacetamideHCID 13624602541.5%

Reaction Steps

The title compound was prepared according to the procedure described for Example-83 by using tert-butyl 2-(4-(trifluoromethyl)phenyl)hydrazinecarboxylate (Intermediate-53, 1.00 g, 3.63 mmol), 2-chloro-5-((2,2,2-trifluoroacetamido)methyl)benzoyl isocyanate (step-3 of Intermediate-26, 1.30 g, 4.03 mmol), DCM (20 mL) and TFA (5.0 mL) to afford 0.700 g of the desired product. 1H NMR (400 MHz, DMSO d6): δ 4.44-4.46 (d, J=6 Hz, 2H), 7.48-7.50 (d, J=8.4 Hz, 1H), 7.65-7.68 (m, 2H), 7.84-7.86 (d, J=8.8 Hz, 2H), 8.17-8.19 (d, J=8.4 Hz, 2H), 10.05 (br s, 1H), 12.69 (br s, 1H); MS (m/z): 463.17 (M−H−).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS09096545B2
Source datasetuspto-grants-2015_08
ORD IDord-9ba8925edc014ee782fb2516b8e8547b
Source noteuspto-grants-2015_08