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Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
HRID 59880생성일: 2026년 10월 24일

Hydrochloric Acid → 2-methyl-4-(1-(4-(trifluoromethoxy)phenyl)-1H-1,2,4-triazol-3-yl)benzoic acid

https://huagongshe.com/ko/reaction/59880

반응식

참여 물질

역할이름HCID투입량
반응물Hydrochloric AcidHCID 313—
반응물MethanolHCID 887—
반응물Sodium HydroxideHCID 14798—
반응물methyl 2-methyl-4-(1-(4-(trifluoromethoxy)phenyl)-1H-1,2,4-triazol-3-yl)benzoateHCID 71209047—
용매WaterHCID 962—
용매TetrahydrofuranHCID 8028—
생성물2-methyl-4-(1-(4-(trifluoromethoxy)phenyl)-1H-1,2,4-triazol-3-yl)benzoic acidHCID 7120933195%

반응 단계

To two batches of methyl 2-methyl-4-(1-(4-(trifluoromethoxy)phenyl)-1H-1,2,4-triazol-3-yl)benzoate (0.452 g, 1.198 mmol) in a 250 mL round-bottomed flask equipped with a stir bar was added MeOH (12 ml), THF (12 ml) and 2N sodium hydroxide (5.99 ml, 11.98 mmol). The reaction was stirred overnight. The reaction mixture was diluted with water and acidified with 1N HCl. The solid was extracted with EtOAc (3×). The organic layer was dried over MgSO4, filtered and concentrated providing the title compound as a yellow solid (0.412 g, 1.134 mmol, 95%): 1H NMR (300 MHz, DMSO-d6) δ 12.94 (s, 1H), 9.43 (s, 1H), 8.14-8.03 (m, 2H), 8.03-7.89 (m, 3H), 7.61 (d, J=8.7 Hz, 2H), 2.60 (s, 3H); 19F NMR (376 MHz, DMSO-d6) δ −56.95; ESIMS m/z 364 ([M+H]+).

출처 및 근거

DOI10.6084/m9.figshare.5104873.v1
특허 번호US09440964B2
출처 데이터셋uspto-grants-2016_09
ORD IDord-ca529c2ebbb64a4dbb31eb0bc804055c
출처 메모uspto-grants-2016_09