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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 552008Generated: October 25, 2026

Methanaminium, N-((dimethylamino)(3H-1,2,3-triazolo(4,5-b)pyridin-3-yloxy)methylene)-N-methyl-, hexafluorophosphate(1-) (1:1) → (S)-4-Bromo-N-[1-(2,4-difluoro-phenyl)-2,2,2-trifluoroethyl]-2-(quinoxaline-5-sulfonylamino)-benzamide

https://huagongshe.com/reaction/552008

Reaction equation

Participants

RoleNameHCIDCharge
ReactantMethanaminium, N-((dimethylamino)(3H-1,2,3-triazolo(4,5-b)pyridin-3-yloxy)methylene)-N-methyl-, hexafluorophosphate(1-) (1:1)HCID 9886157—
Reactant4-Bromo-2-(quinoxaline-5-sulfonylamino)benzoic acidHCID 11429708—
Reactant(S)-1-(2,4-difluorophenyl)-2,2,2-trifluoroethylamine hydrochlorideHCID 86596675—
Product(S)-4-Bromo-N-[1-(2,4-difluoro-phenyl)-2,2,2-trifluoroethyl]-2-(quinoxaline-5-sulfonylamino)-benzamideHCID 11250402—

Reaction Steps

The title compound was prepared from the HATU-mediated coupling of 4-bromo-2-(quinoxaline-5-sulfonylamino)benzoic acid (EXAMPLE 1, Step G) and (S)-1-(2,4-difluorophenyl)-2,2,2-trifluoroethylamine hydrochloride (EXAMPLE 29, Step C) and purified as described in EXAMPLE 1, Step K. MS (ESI): mass calculated for C23H14BrF5N4O3S, 600.0; m/z found, 599/601 [M−H]−. HPLC (reverse phase): RT=10.06 min. 1H NMR (400 MHz, CDCl3): 11.02 (s, 1H), 8.84-8.83 (m, 2H), 8.56 (dd, J=7.4, 1.4 Hz, 1H), 8.31 (dd, J=7.4, 1.4 Hz, 1H), 7.96 (d, J=2.0 Hz, 1H), 7.87 (dd, J=8.4, 7.4 Hz, 1H), 7.43-7.37 (m, 1H), 7.22 (d, J=8.5 Hz, 1H), 7.13 (dd, J=8.5, 1.8 Hz, 1H), 7.03-6.93 (m, 2H), 6.82-6.80 (m, 1H), 6.06-5.99 (m, 1H).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS07947833B2
Source datasetuspto-grants-2011_05
ORD IDord-3c8c75574d7b4b3c94359ca9cd3474f1
Source noteuspto-grants-2011_05