Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
HRID 557733생성일: 2026년 10월 25일
HOAt → 2-Phenyl-5-trifluoromethyl-oxazole-4-carboxylic acid (6-bromo-pyridin-3-yl)-amide
https://huagongshe.com/reaction/557733
참여 물질
| 역할 | 이름 | HCID | 투입량 |
|---|
| 반응물 | HOAt | HCID 181649 | — |
| 반응물 | 6-Bromopyridin-3-amine | HCID 642811 | — |
| 반응물 | 1,3-Propanediamine, N'-(ethylcarbonimidoyl)-N,N-dimethyl-, monohydrochloride | HCID 2723939 | — |
| 반응물 | 2-Phenyl-5-(trifluoromethyl)-oxazole-4-carboxylic acid | HCID 2776438 | — |
| 용매 | Dichloromethane | HCID 6344 | — |
| 생성물 | 2-Phenyl-5-trifluoromethyl-oxazole-4-carboxylic acid (6-bromo-pyridin-3-yl)-amide | HCID 57652145 | 83.8% |
반응 단계
A mixture of 2-phenyl-5-trifluoromethyl-oxazole-4-carboxylic acid (3.0 g, 11.7 mmol), 6-bromo-pyridin-3-ylamine (2.0 g, 11.7 mmol), 1-hydroxy-7-azabenzotriazole (HOAT) (2.4 g, 17.5 mmol), and 1-ethyl-3-(3-dimethylaminopropyl)carbodiimide hydrochloride (3.4 g, 17.5 mmol) in anhydrous dichloromethane (100 mL) was stirred at room temperature overnight. The reaction mixture was concentrated and partitioned between water and ethyl acetate. The organic layer was washed with brine, dried and concentrated to give a solid. Recrystallization of the crude solid from ethyl acetate/hexane/methanol gave 4.04 g of 2-phenyl-5-trifluoromethyl-oxazole-4-carboxylic acid (6-bromo-pyridin-3-yl)-amide. The mother liquor was purified by flash chromatography (Merck silica gel 60, 230-400 mesh, 0%-100% ethyl acetate in hexane) to give an additional 200 mg of 2-phenyl-5-trifluoromethyl-oxazole-4-carboxylic acid (6-bromo-pyridin-3-yl)-amide (4.24 g in total, 88%) as a light brown solid. LCMS calcd for C16H9BrF3N3O2 (m/e) 412, obsd 413 (M+H).
출처 및 근거
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| 특허 번호 | US08058299B2 |
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| 출처 데이터셋 | uspto-grants-2011_11 |
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| ORD ID | ord-740a49f053324e32a9e86c3c2888aa5c |
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| 출처 메모 | uspto-grants-2011_11 |
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