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Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
HRID 394789생성일: 2026년 10월 25일

Oxalyl chloride → N-(4-benzoylpyrrolidino)-1-(4-methoxyphenyl)-3-(methylthio)-1H-pyrazole-5-carboxamide

https://huagongshe.com/reaction/394789

반응식

참여 물질

역할이름HCID투입량
반응물Oxalyl chlorideHCID 65578—
반응물4-(Pyrrolidin-1-ylcarbonyl)anilineHCID 577800—
반응물1-(4-Methoxyphenyl)-3-methylthio-1H-pyrazole-5-carboxylic acidHCID 18177301—
촉매DimethylformamideHCID 6228—
촉매4-(Dimethylamino)pyridineHCID 14284—
용매DichloromethaneHCID 6344—
생성물N-(4-benzoylpyrrolidino)-1-(4-methoxyphenyl)-3-(methylthio)-1H-pyrazole-5-carboxamideHCID 10238249212.6%

반응 단계

Oxalyl chloride (140 μl, 1.6 mmol) and dry DMF (2 drops) were added at room temperature to 1-(4-methoxyphenyl)-3-methylthio-1H-pyrazole-5-carboxylic acid (275 mg, 1.0 mmol) in dry CH2Cl2 (8 mL) and stirred for 100 minutes under N2. The resulting solution was evaporated and placed briefly under high vacuum before redissolving in CH2Cl2 (8 mL). (4-aminobenzoyl)pyrrolidine (198 mg, 1.0 mmol) was added, followed by 4-dimethylaminopyridine (190 mg, 1.6 mmol). The resulting mixture was stirred at room temperature for 17 hours, diluted with CH2Cl2, and extracted with H2O. The aqueous extract was extracted with CH2Cl2, the combined organic extracts were extracted with brine. The organic layer was dried over Na2SO4, filtered, and evaporated. The crude product was chromatographed on silica gel (75-100% EtOAc/hexanes) to yield the desired product (464 mg, 100%). 1H NMR (CDCl3): δ 7.91 (bs, 1H), 7.44 (s, 4H), 7.39 (d, 2H, J=8.8), 6.97 (d, 2H, J=8.8), 6.83 (s, 1H), 3.84 (s, 3H), 3.62 (t, 2H, J=6.6), 3.42 (t, 2H, J=6.6), 2.57 (s, 3H), 1.91 (m, 4H).

출처 및 근거

DOI10.6084/m9.figshare.5104873.v1
특허 번호US06602895B2
출처 데이터셋uspto-grants-2003_08
ORD IDord-57715c0821564bb1a4642acef7f73b57
출처 메모uspto-grants-2003_08