Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
HRID 70121생성일: 2026년 10월 25일
Sodium hydride → tert-butyl 3-oxotetrahydro-1H-oxazolo[3,4-a]pyrazine-7(3H)-carboxylate
https://huagongshe.com/reaction/70121
참여 물질
| 역할 | 이름 | HCID | 투입량 |
|---|
| 반응물 | Sodium hydride | HCID 24758 | — |
| 반응물 | Borane;tetrahydrofuran | HCID 2723981 | — |
| 반응물 | 1,4-Di-Boc-piperazine-2-carboxylic acid | HCID 11255979 | — |
| 용매 | Tetrahydrofuran | HCID 8028 | — |
| 생성물 | tert-butyl 3-oxotetrahydro-1H-oxazolo[3,4-a]pyrazine-7(3H)-carboxylate | HCID 59671544 | 59.6% |
반응 단계
1,4-Di(tert-butoxycarbonyl)piperazine-2-carboxylic acid (14.45 g, 43.7 mmol) was dissolved in THF (200 mL), and borane-THF complex (1.0 M solution in THF, 100 mL, 100 mmol) was added slowly. Upon complete addition, the reaction mixture was heated to 50° C. After 2 h, the reaction mixture was allowed to cool to rt and was slowly quenched by the dropwise addition of MeOH (50 mL). After gas evolution ceased, the reaction mixture was heated to 50° C. for 1 h. Upon cooling to rt, the reaction mixture was concentrated under reduced pressure. The material was dissolved in THF (200 mL) and NaH (60% dispersion in mineral oil, 1.75 g, 43.7 mmol) was added portion wise. The reaction mixture was heated to 50° C. overnight. Upon cooling to rt, the reaction mixture was quenched with H2O (300 mL) and extracted with EtOAc (3×400 mL). The combined organics were dried over Na2SO4, filtered, and concentrated under reduced pressure. The material was purified by column chromatography (10 to 40% EtOAc in Hexanes gradient) to give 6.31 g (59%) of the desired product as a white solid. Rf=0.43 in 80% EtOAc in Hexanes. 1.10 g (8%) of di-tert-butyl 2-(hydroxymethyl)piperazine-1,4-dicarboxylate was also isolated. Rf=0.63 in 80% EtOAc in Hexanes.
출처 및 근거
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| 특허 번호 | US08822472B2 |
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| 출처 데이터셋 | uspto-grants-2014_09 |
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| ORD ID | ord-f4617b5067504fd1b21da4330044af6a |
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| 출처 메모 | uspto-grants-2014_09 |
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