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Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
HRID 346476생성일: 2026년 10월 24일

Hydrochloric Acid → 4-fluoro-2-(1H-1,2,4-triazol-1-yl)benzonitrile

https://huagongshe.com/ko/reaction/346476

반응식

참여 물질

역할이름HCID투입량
반응물Hydrochloric AcidHCID 313—
반응물(4-Fluoro-2-(1H-1,2,4-triazol-1-yl)phenyl)methanamine hydrochlorideHCID 21069882—
촉매PalladiumHCID 23938—
용매EthanolHCID 702—
생성물4-fluoro-2-(1H-1,2,4-triazol-1-yl)benzonitrileHCID 2106988099%

반응 단계

(4-Fluoro-2-(1H-1,2,4-triazol-1-yl)phenyl)methanamine hydrochloride): Intermediate 1,4-fluoro-2-(1H-1,2,4-triazol-1-yl)benzonitrile, (2.46 g, 13.13 mmol) was dissolved in hot ethanol (150 mL). Aqueous 1N HCl (15 mL) was added followed by 10% Pd/C (200 mg). The mixture was shaken under H2 (55 psi) for 4 h., then filtered through Celite and concentrated in vacuo. The remaining residue was partitioned between ethyl acetate and water. The aqueous layer was isolated and lyophilized to give the title compound as a white powder (2.96 g, 99% yield). 1H NMR (500 MHz, CD3OD) δ ppm: 9.51 (1H, s), 8.63 (1H, s), 7.85 (1H, dd, J=8.5, 5.8 Hz), 7.68 (1H, dd, J=8.8, 2.4 Hz), 7.49 (1H, td, J=8.3, 2.4 Hz), 4.20 (2H, s). LCMS (M+H) calcd for C9H10N4F: 193.08; found: 193.16.

출처 및 근거

DOI10.6084/m9.figshare.5104873.v1
특허 번호US07173022B2
출처 데이터셋uspto-grants-2007_02
ORD IDord-0cc37b0f01c14e7797475ffa60949e5f
출처 메모uspto-grants-2007_02