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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1822060Generated: November 2, 2026

4-Methylmorpholine → Pavinetant

https://huagongshe.com/reaction/1822060

Reaction equation

Participants

RoleNameHCIDCharge
Reactant4-MethylmorpholineHCID 7972—
Reactant1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 15908—
Reactant1-Hydroxybenzotriazole hydrateHCID 2796029—
Reactant(1S)-1-phenylpropan-1-amineHCID 6993773—
Reactant3-[(Methylsulfonyl)amino]-2-phenylquinoline-4-carboxylic acidHCID 57893571—
SolventTetrahydrofuranHCID 8028—
ProductPavinetantHCID 2364924515.2%

Reaction Steps

A solution of 3-[(methylsulfonyl)amino]-2-phenylquinoline-4-carboxylic acid (1c) (342 mg, 1.0 mmol), HOBT hydrate (231 mg, 1.5 mmol), 4-methylmorpholine (276 μL, 1.5 mmol) in tetrahydrofuran (50 ml) was added EDCI (289 mg, 1.5 mmol) at RT under N2. (S)-1-Phenyl propylamine (135 mg, 1.0 mmol) was then added and the reaction mixture stirred at RT for 12 h. All solvent was removed in vacuo and the residue was partitioned between ethyl acetate and 10% aqueous sodium bicarbonate solution, dried over sodium sulfate and then concentrated in vacuo. The residue was purified by chromatography eluting with 15-25% ethyl acetate/hexane to give the title compound (70 mg, 15%) as a solid. 1H NMR (300 MHz, CDCl3) δ 0.94 (t, 3H), 1.97 (m, 2H), 3.44 (s, 3H), 5.17 (q, 1H), 5.47 (m, 2H), 7.32 (d, 2H), 7.34 (d, 2H), 7.39 (m, 1H), 7.78 (m, 2H), 7.84 (m, 2H), 8.08 (m, 1H), 8.30 (m, 2H), 8.42 (m, 2H). MS APCI, m/z=460 (M+1). LCMS: 2.51 min.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS07608628B2
Source datasetuspto-grants-2009_10
ORD IDord-ea4c5515815c4e869b0a24155dc561ad
Source noteuspto-grants-2009_10