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Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
HRID 58062생성일: 2026년 10월 26일

Ethyl (4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)acetate → 2-(3,5-dimethyl-4-(6-(trifluoromethyl)-1H-indazol-4-yl)-1H-pyrazol-1-yl)acetic acid

https://huagongshe.com/reaction/58062

반응식

참여 물질

역할이름HCID투입량
반응물Ethyl (4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)acetateHCID 2778421—
반응물4-(Tetramethyl-1,3,2-dioxaborolan-2-yl)-6-(trifluoromethyl)-1H-indazoleHCID 89782806—
촉매Bis(cyclopenta-1,4-dien-1-yl(diphenyl)phosphane);dichloropalladium;iron(2+)HCID 178418228—
용매1,4-DioxaneHCID 31275—
용매Sodium BicarbonateHCID 516892—
생성물2-(3,5-dimethyl-4-(6-(trifluoromethyl)-1H-indazol-4-yl)-1H-pyrazol-1-yl)acetic acidHCID 89782950—

반응 조건

온도140 °C

반응 단계

To a microwave vial were added a mixture of 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6-(trifluoromethyl)-1H-indazole (0.3 g, 0.961 mmol), ethyl 2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)acetate (0.351 g, 1.346 mmol) and PdCl2(dppf) (0.035 g, 0.048 mmol) in dioxane (10 mL) and aqueous saturated NaHCO3 (3 mL). The resulting light yellow suspension was heated at 140° C. for 45 minutes in a microwave reactor. The reaction mixture was subsequently concentrated and the residue was purified by preparative HPLC, eluting with a gradient of 40-50% acetonitrile (containing 0.035% TFA) in H2O (containing 0.05% TFA) over a period of 6 minutes. Two products were separated. The product-containing fractions were combined and the volatiles removed in vacuo to give the title compound as the major product. ESI-MS m/z [M+H]+ calc'd for C15H13F3N4O2, 339.1. found 339.2.

출처 및 근거

DOI10.6084/m9.figshare.5104873.v1
특허 번호US09434743B2
출처 데이터셋uspto-grants-2016_09
ORD IDord-5d56eb2d5b1e4865a9cb133cdba80470
출처 메모uspto-grants-2016_09