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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 509415Generated: October 27, 2026

4-Hydroxy-3-nitrobenzoic acid → (S)-N-((3-Fluoropyridin-2-yl)(4-(trifluoromethyl)phenyl)methyl)-4-hydroxy-3-nitrobenzamide

https://huagongshe.com/reaction/509415

Reaction equation

Participants

RoleNameHCIDCharge
Reactant4-Hydroxy-3-nitrobenzoic acidHCID 12033—
ReactantDiisopropylethylamineHCID 81531—
ReactantMethanaminium, N-((dimethylamino)(3H-1,2,3-triazolo(4,5-b)pyridin-3-yloxy)methylene)-N-methyl-, hexafluorophosphate(1-) (1:1)HCID 9886157—
Reactant(S)-(3-Fluoropyridin-2-yl)(4-(trifluoromethyl)phenyl)methanamine HydrochlorideHCID 71144279—
Reactant(S)-(4-(Trifluoromethyl)phenyl)(3-(trifluoromethyl)pyridin-2-yl)methanamine HydrochlorideHCID 86687962—
SolventWaterHCID 962—
SolventDimethylformamideHCID 6228—
Product(S)-N-((3-Fluoropyridin-2-yl)(4-(trifluoromethyl)phenyl)methyl)-4-hydroxy-3-nitrobenzamideHCID 71144294—

Reaction Steps

To a solution of 4-hydroxy-3-nitrobenzoic acid (285 mg, 1.556 mmol) and DMF (5 mL), were added DIPEA (0.69 mL, 3.96 mmol) and HATU (612 mg, 1.611 mmol). After stirring for 45 min, (S)-(3-fluoropyridin-2-yl)(4-(trifluoromethyl)phenyl)methanamine hydrochloride (380 mg, 1.239 mmol, Intermediate 2) was added in one portion. The reaction was stirred at room temperature for 5 h and was then diluted with water (50 mL). The aqueous solution was extracted with EtOAc (3×20 mL). The combined EtOAc layers were concentrated in vacuo and adsorbed onto a plug of silica gel and chromatographed through a Redi-Sep® pre-packed silica gel column (12 g), eluting with 0 to 75% EtOAc in hexane, to provide the title compound as a yellow solid. MS (ESI pos. ion) m/z: 436.1 (M+H).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS09096527B2
Source datasetuspto-grants-2015_08
ORD IDord-9bf8c4c6da83440eb4434e110e0a4b8c
Source noteuspto-grants-2015_08