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
참여 물질
| 역할 | 이름 | HCID | 투입량 |
|---|
| 반응물 | Ethyl (4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)acetate | HCID 2778421 | — |
| 반응물 | 4-(Tetramethyl-1,3,2-dioxaborolan-2-yl)-6-(trifluoromethyl)-1H-indazole | HCID 89782806 | — |
| 촉매 | Bis(cyclopenta-1,4-dien-1-yl(diphenyl)phosphane);dichloropalladium;iron(2+) | HCID 178418228 | — |
| 용매 | 1,4-Dioxane | HCID 31275 | — |
| 용매 | Sodium Bicarbonate | HCID 516892 | — |
| 생성물 | 2-(3,5-dimethyl-4-(6-(trifluoromethyl)-1H-indazol-4-yl)-1H-pyrazol-1-yl)acetic acid | HCID 89782950 | — |
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
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| 특허 번호 | US09434743B2 |
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| 출처 데이터셋 | uspto-grants-2016_09 |
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| ORD ID | ord-5d56eb2d5b1e4865a9cb133cdba80470 |
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| 출처 메모 | uspto-grants-2016_09 |
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