Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
HRID 1297385생성일: 2026년 10월 25일
tert-Butyl acrylate → tert-butyl (E)-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)acrylate
https://huagongshe.com/reaction/1297385
참여 물질
| 역할 | 이름 | HCID | 투입량 |
|---|
| 반응물 | tert-Butyl acrylate | HCID 15458 | — |
| 반응물 | Tri-o-tolylphosphine | HCID 80271 | — |
| 반응물 | Diisopropylethylamine | HCID 81531 | — |
| 반응물 | 6-Bromo-3,4-dihydro-1,8-naphthyridin-2(1H)-one | HCID 11096325 | — |
| 촉매 | palladium(II) acetate | HCID 167845 | — |
| 용매 | Dimethylformamide | HCID 6228 | — |
| 용매 | Propionitrile | HCID 7854 | — |
| 생성물 | tert-butyl (E)-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)acrylate | HCID 10869488 | 45.3% |
반응 단계
A solution of 6-bromo-3,4-dihydro-1H-1,8-naphthyridin-2-one (12.99 g, 57 mmole), tert-butyl acrylate (34 mL, 232 mmole), DIEA (21.2 mL, 122 mmole), Pd(OAc)2 (1.3 g, 5.8 mmole) and P(o-tol)3 (3.5 g, 11.5 mmole) in propionitrile (200 mL) and DMF (50 mL) was purged with Ar, then was heated at reflux. After 18 h the reaction was allowed to cool to room temperature and was concentrated to dryness. The residue was purified by flash chromatography on silica gel (2-4% MeOH/CHCl3). The resulting residue was triturated with 1:1 Et2O/petroleum ether, collected, and dried, and the resulting material was triturated with 1:1 MeOH/H2O, collected, and dried, to give the title compound (7.09 g, 45%) as an off-white solid: 1H NMR (400 MHz, d6-DMSO) δ 10.70 (s, 1H), 8.35 (d, J=2.0 Hz, 1H), 8.04 (s, 1H), 7.50 (d, J=16.0 Hz, 1H), 6.51 (d, J=16.0 Hz, 1H), 2.89 (t, 2H), 2.53 (t, 2H), 1.48 (s, 9H); MS (ES) m/e 275.2 (M+H)+.
출처 및 근거
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| 특허 번호 | US07250424B2 |
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| 출처 데이터셋 | uspto-grants-2007_07 |
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| ORD ID | ord-cb3c2c66ea2944c1952ab8db9673bea4 |
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| 출처 메모 | uspto-grants-2007_07 |
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