Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
HRID 14194생성일: 2026년 10월 26일
Hydrochloric Acid → Methyl 4-butyl-8-cyano-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylate
https://huagongshe.com/reaction/14194
참여 물질
| 역할 | 이름 | HCID | 투입량 |
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| 반응물 | Hydrochloric Acid | HCID 313 | — |
| 반응물 | Methyl 8-bromo-4-butyl-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylate | HCID 21086218 | — |
| 반응물 | HCID 178418260 | HCID 178418260 | — |
| 용매 | N-methyl-2-pyrrolidone | HCID 13387 | — |
| 생성물 | Methyl 4-butyl-8-cyano-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylate | HCID 21086202 | 66.7% |
반응 단계
To a flask containing methyl 8-bromo-4-butyl-3,4-dihydro-2H-1,4-benzoxazine-6-carboxylate (0.33 g) was added NMP (7 mL), followed by copper cyanide (0.18 g). The mixture was then heated to 175° C. and stirred overnight. The resulting mixture was cooled to room temperature and poured into 1 N hydrochloric acid. The acidic aqueous layer was extracted with ethyl acetate, washed with 1 N hydrochloric acid (15 mL), saturated sodium bicarbonate (15 mL), and brine, dried (magnesium sulfate), filtered, and concentrated under reduced pressure. Purification by flash column chromatography (silica, 1:9 ethyl acetate/hexanes) provided 184 mg of the title compound: 1H NMR (300 MHz, CDCl3) δ 7.55, 7.43, 4.41, 3.89, 3.39, 3.31, 1.58, 1.40, 0.97.
출처 및 근거
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| 특허 번호 | US07727997B2 |
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| 출처 데이터셋 | uspto-grants-2010_06 |
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| ORD ID | ord-c734aefb23a24984b9ddb1e684b7fdcb |
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| 출처 메모 | uspto-grants-2010_06 |
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