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Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
HRID 348873생성일: 2026년 10월 26일

Sodium Carbonate → 3-Isopropenylbenzonitrile

https://huagongshe.com/reaction/348873

반응식

참여 물질

역할이름HCID투입량
반응물Sodium CarbonateHCID 10340—
반응물2-BromopropeneHCID 11202—
반응물3-Cyanophenylboronic acidHCID 2734325—
촉매HCID 178418397HCID 178418397—
용매WaterHCID 962—
용매1,2-DimethoxyethaneHCID 8071—
생성물3-IsopropenylbenzonitrileHCID 12180250—

반응 단계

To a stirred solution of 3-cyanophenylboronic acid (10.0 g, 68.05 mmol) dissolved in DME (340 mL) is added 2-bromopropene (6.86 g, 56.7 mmol), and sodium carbonate (62.3 mL of a 2 M solution in water, 124.7 mmol). The reaction mixture is degassed for 20 min with nitrogen. Tetrakis(triphenylphosphine)palladium(0) (2.54 g, 2.2 mmol) is added, the reaction mixture degassed for 10 min, and heated at reflux overnight. The reaction mixture is cooled to room temperature and then partitioned between hexanes and water. The aqueous layer is extracted with hexanes (3×75 mL). The combined organic layers are washed with brine, dried (magnesium sulfate), filtered, and concentrated under reduced pressure. Purification by flash column chromatography (9:1 hexanes/ethyl acetate) provides the title compound. 1H NMR (300 MHz, DMSO-d6) δ 7.96 (m, 1H), 7.85 (d, J=8 Hz, 1H), 7.75 (d, J=8 Hz, 1H), 7.56 (m, 1H) 5.58 (s, 1H), 5.23 (m, 1H), 2.13 (s, 3H).

출처 및 근거

DOI10.6084/m9.figshare.5104873.v1
특허 번호US07176242B2
출처 데이터셋uspto-grants-2007_02
ORD IDord-b2692ac8e1954adf8eb4165c0816e81e
출처 메모uspto-grants-2007_02