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HRID 658574作成日:2026年10月24日

Triethylamine → (S)-N-(1-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)-2-phenylpropanamide

https://huagongshe.com/ja/reaction/658574

反応式

関与物質

役割名称HCID仕込み量
反応物TriethylamineHCID 8471—
反応物2-Phenylpropionic acid, (+)-HCID 2724622—
反応物PyBOPHCID 2724699—
反応物1-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-amine hydrochlorideHCID 57422264—
溶媒DimethylformamideHCID 6228—
溶媒Ethyl AcetateHCID 8857—
生成物(S)-N-(1-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)-2-phenylpropanamideHCID 5794494661.7%

反応手順

1-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-amine hydrochloride (Example 4-1a) (200 mg, 1 mmol), (S)-2-phenyl propionic acid (156 mg, 1 mmol), and PyBop (650 mg, 1.3 mmol) were added to DMF (4 mL) followed by triethylamine (0.3 mL, 2.1 mmol). The reaction stirred for 4 hours at room temperature under a nitrogen atmosphere then diluted with ethyl acetate (20 mL), washed with aqueous saturated NaHCO3 solution (2×15 mL) followed by aqueous saturated NaCl solution (15 mL). The organic phase was dried, filtered and concentrated on the rotovap. The crude product was re-suspended in methanol (3 mL) and purified by reversed phase HPLC (5%-95% ACN in H2O: 25 minute gradient). The fractions containing the pure product were concentrated to afford (S)-N-(1-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)-2-phenylpropanamide (200 mg, 60%) as a white solid. 1H NMR (400 MHz, DMSO-d6) δ 1.36 (d, J=7.2, Hz, 3H), 2.09 (s, 3H), 2.36 (s, 3H), 3.71-3.66 (m, 1H), 5.05 (s, 2H), 7.33-7.17 (m, 5H), 7.37 (s, 1H), 7.90 (s, 1H), 10.05 (s, 1H). MS 325 (M+H). Melting point 108° C.-110° C.

情報源と証拠

DOI10.6084/m9.figshare.5104873.v1
特許番号US08076491B2
出典データセットuspto-grants-2011_12
ORD IDord-eac13db657f54a99b1cf90f17ab59373
出典メモuspto-grants-2011_12