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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 59513Generated: October 28, 2026

Trifluoroacetic acid → N-(3-(1-(4-(trifluoromethyl)phenyl)-4,5-dihydro-5-oxo-1H-1,2,4-triazol-3-yl)-2,4-dimethylbenzyl)-2,2,2-trifluoro acetamide

https://huagongshe.com/reaction/59513

Reaction equation

Participants

RoleNameHCIDCharge
ReactantTrifluoroacetic acidHCID 6422—
Reactant3-((2,2,2-Trifluoroacetamido)methyl)-2,6-dimethylbenzoyl isocyanateHCID 90019298—
Reactanttert-Butyl 2-(4-(trifluoromethyl)phenyl)hydrazinecarboxylateHCID 90019516—
SolventDichloromethaneHCID 6344—
ProductN-(3-(1-(4-(trifluoromethyl)phenyl)-4,5-dihydro-5-oxo-1H-1,2,4-triazol-3-yl)-2,4-dimethylbenzyl)-2,2,2-trifluoro acetamideHCID 13624606045.9%

Reaction Steps

The title compound was prepared according to the procedure described in Example-83 by using tert-butyl 2-(4-(trifluoromethyl)phenyl)hydrazinecarboxylate (Intermediate-53, 1.00 g, 3.63 mmol), 3-((2,2,2-trifluoroacetamido)methyl)-2,6-dimethylbenzoyl isocyanate (Intermediate-65, 1.00 g, 3.33 mmol), DCM (20 mL), trifluoro acetic acid (5.0 mL) to afford 0.700 g of the desired product. 1H NMR (400 MHz, DMSO d6): δ 2.20 (s, 3H), 2.22 (s, 3H), 4.40 (d, J=4.2 Hz, 2H), 7.21 (d, J=6.0 Hz, 1H), 7.29 (d, J=6.0 Hz, 1H), 7.82 (d, J=6.6 Hz, 1H), 8.17 (d, J=6.6 Hz, 1H), 9.95 (t, J=6.9 Hz, 1H), 12.32 (br s, 1H); MS (m/z): 457.26 (M−H)−.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS09439890B2
Source datasetuspto-grants-2016_09
ORD IDord-eeae59b62e3e4567b42c70809c8d200f
Source noteuspto-grants-2016_09