Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
Ethyl Acetate → 4-(4-Chlorophenyl)-3-cyano-3-phenyl-2-butanone
참여 물질
| 역할 | 이름 | HCID | 투입량 |
|---|---|---|---|
| 반응물 | Ethyl Acetate | HCID 8857 | — |
| 반응물 | Cesium carbonate | HCID 10796 | — |
| 반응물 | Alpha-phenylacetoacetonitrile | HCID 20547 | — |
| 반응물 | 1-(Bromomethyl)-4-chlorobenzene | HCID 69329 | — |
| 용매 | Water | HCID 962 | — |
| 용매 | Acetonitrile | HCID 6342 | — |
| 생성물 | 4-(4-Chlorophenyl)-3-cyano-3-phenyl-2-butanone | HCID 66430925 | — |
반응 단계
To a solution of α-acetylphenylacetonitrile (1.0 g, 6.3 mmol) in acetonitrile (25 mL) was added 4-chlorobenzyl bromide (1.3 g, 6.3 mmol) and cesium carbonate (8.2 g, 25 mmol). After stirring at room temperature for 2 h, the reaction mixture was poured into ethyl acetate (100 mL) and water (100 mL). The organic layer was separated, washed with brine, dried over magnesium sulfate, filtered, and concentrated to dryness, and the residue was purified on a silica gel column eluting with 1 to 5% ethyl acetate in hexane to give the title compound. 1H NMR (400 MHz, CD3OD): δ 7.5-6.9 (m, 9H), 3.56 (d, 1H), 3.37 (d, 1H), 2.22 (s, 3H). LC-MS: m/e 306 (M+Na)+ (3.0 min).
출처 및 근거
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| 특허 번호 | US07423067B2 |
| 출처 데이터셋 | uspto-grants-2008_09 |
| ORD ID | ord-85f207f8293a41209effb383b5d70d18 |
| 출처 메모 | uspto-grants-2008_09 |