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Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
HRID 348144생성일: 2026년 10월 25일

2,5-Difluorobenzonitrile → 5-fluoro-2-(1H-1,2,4-triazol-1-yl)benzonitrile

https://huagongshe.com/reaction/348144

반응식

참여 물질

역할이름HCID투입량
반응물2,5-DifluorobenzonitrileHCID 123558—
반응물1h-1,2,4-Triazole sodium saltHCID 45489822—
용매DimethylformamideHCID 6228—
용매DichloromethaneHCID 6344—
생성물5-fluoro-2-(1H-1,2,4-triazol-1-yl)benzonitrileHCID 2186625449%

반응 조건

온도80 °C

반응 단계

A suspension of 2,5-diflurobenzonitrile (4.5 g, 32.35 mmol) and 1,2,4-triazole sodium salt (3.6 g, 40 mmol) in dimethylformamide (40 mL) was heated at 80° C. for 15 h. The reaction mixture was then cooled, diluted with CH2Cl2 (200 mL), washed with water (3×30 mL) and brine (30 mL), then dried (Na2SO4), filtered and concentrated to give a white solid which was purified by flash column chromatography (SiO2) using 1:1 to 3:1 ethyl acetate/Hexanes to afford the title compound (2.98 g, 49% yield) as a white powder. 1H NMR (500 MHz, CDCl3) δ: 8.70 (1H, s), 8.18 (1H, s), 7.76 (1H, dd, J=9.0, 4.8 Hz), 7.55 (1H, dd, J=7.3, 2.8 Hz), 7.51–7.47 (1H, m). LCMS (M+H) calcd for C9H6FN4: 189.17; found: 189.10.

출처 및 근거

DOI10.6084/m9.figshare.5104873.v1
특허 번호US07176196B2
출처 데이터셋uspto-grants-2007_02
ORD IDord-d325230ac27e464fa2901268306b27ca
출처 메모uspto-grants-2007_02