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HRID 1185256作成日:2026年10月25日

Water → 4-Cyclopropyl-2-fluoro-1-nitrobenzene

https://huagongshe.com/reaction/1185256

反応式

関与物質

役割名称HCID仕込み量
反応物WaterHCID 962—
反応物DichloromethaneHCID 6344—
反応物Cesium carbonateHCID 10796—
反応物Cyclopropylboronic acidHCID 2760897—
反応物3-Fluoro-4-nitrophenyl trifluoromethanesulfonateHCID 21998735—
触媒Bis(cyclopenta-1,4-dien-1-yl(diphenyl)phosphane);dichloropalladium;iron(2+)HCID 178418228—
溶媒TolueneHCID 1140—
生成物4-Cyclopropyl-2-fluoro-1-nitrobenzeneHCID 5742391491.7%

反応条件

温度90 °C

反応手順

A mixture of 3-fluoro-4-nitrophenyl trifluoromethanesulfonate (7.15 g, 24.73 mmol), cyclopropylboronic acid (2.55 g, 29.67 mmol), [1,1′-bis(diphenylphosphino)-ferrocene]dichloropalladium(II), complexed with dichloromethane (1:1) (1.62 g, 1.98 mmol), and 2M cesium carbonate in water (19.8 mL, 39.56 mmol) in toluene (39.5 mL) was degassed for 20 min. The reaction mixture was stirred at 90° C. under N2 for 2.5 h. The reaction was cooled to RT, diluted with ethyl acetate (200 mL), and filtered through a pad of Celite. The filtrate was washed with brine, dried over Na2SO4, filtered, and concentrated under reduced pressure. The crude residue was purified via flash column chromatography eluted with 0 to 75% DCM/hexane to give 4.11 g (91.7%) of 4-cyclopropyl-2-fluoro-1-nitrobenzene as an oil. 1H NMR (400 MHz, MeOD) δ 7.98 (dd, J=10.2, 6.6 Hz, 1H), 7.12-7.02 (m, 2H), 2.11-1.97 (m, 1H), 1.20-1.11 (m, 2H), 0.89-0.82 (m, 2H).

情報源と証拠

DOI10.6084/m9.figshare.5104873.v1
特許番号US08669361B2
出典データセットuspto-grants-2014_03
ORD IDord-a1635af6c8074d88a7f52fb8601296ec
出典メモuspto-grants-2014_03