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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 509423Generated: November 4, 2026

Methylamine → (S)-N-((3-Fluoro-4-(trifluoromethoxy)phenyl)(3-fluoropyridin-2-yl)methyl)-3-(methylamino)-4-nitrobenzamide

https://huagongshe.com/reaction/509423

Reaction equation

Participants

RoleNameHCIDCharge
ReactantMethylamineHCID 6329—
ReactantTetrahydrofuranHCID 8028—
ReactantDiisopropylethylamineHCID 81531—
Reactant3-Fluoro-4-nitrobenzoic acidHCID 230653—
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-fluoro-4-(trifluoromethoxy)phenyl)(3-fluoropyridin-2-yl)methanamine hydrochlorideHCID 86687985—
SolventWaterHCID 962—
SolventDimethylformamideHCID 6228—
Product(S)-N-((3-Fluoro-4-(trifluoromethoxy)phenyl)(3-fluoropyridin-2-yl)methyl)-3-(methylamino)-4-nitrobenzamideHCID 71144272—

Reaction Steps

To a solution of (S)-(3-fluoro-4-(trifluoromethoxy)phenyl)(3-fluoropyridin-2-yl)methanamine hydrochloride (1.0 g, 2.94 mmol, intermediate 6) in DMF (20 mL, Aldrich) was added 3-fluoro-4-nitrobenzenecarboxylic acid (0.543 g, 2.94 mmol, Bionet Research (A Trading Division of Key Organics Ltd)), HATU (1.228 g, 3.23 mmol, Oakwood Products, Inc.), and DIPEA (1.123 mL, 6.46 mmol, EMD Biosciences, Inc.). The resulting mixture was then stirred at room temperature for 1 h. The mixture was transferred to a pressure tube, and methylamine, 2.0M solution in THF (7.34 mL, 14.68 mmol, Aldrich) and DIPEA (1.123 mL, 6.46 mmol, EMD Biosciences, Inc.) were added. The resulting mixture was heated at 55° C. for 18 h, then cooled to room temperature. Water (150 mL) was added and the mixture was extracted with EtOAc (2×150 mL). The combined organic extracts were dried over MgSO4 and concentrated in vacuo. The residue was dissolved in DCM and the solution mixture was purified by silica gel flash column chromatography using ISCO instrument (0-100% EtOAc/hexane) to give the title compound as a yellow solid. MS (ESI, positive ion) m/z: 483 (M+H).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS09096527B2
Source datasetuspto-grants-2015_08
ORD IDord-fe997698ea684f428cbc9372491947d4
Source noteuspto-grants-2015_08