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Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
HRID 52645생성일: 2026년 10월 25일

Toluene → 2-Amino-6-methyl-5-(3-fluoro-5-trifluoromethylphenyl)benzonitrile

https://huagongshe.com/reaction/52645

반응식

참여 물질

역할이름HCID투입량
반응물TolueneHCID 1140—
반응물Sodium CarbonateHCID 10340—
반응물3-Fluoro-5-(trifluoromethyl)benzeneboronic acidHCID 2783192—
반응물6-Amino-3-bromo-2-methylbenzonitrileHCID 22465737—
촉매HCID 178418397HCID 178418397—
용매EthanolHCID 702—
용매WaterHCID 962—
생성물2-Amino-6-methyl-5-(3-fluoro-5-trifluoromethylphenyl)benzonitrileHCID 54568840103%

반응 조건

온도80 °C

반응 단계

Under a dry nitrogen atmosphere, 0.5 gram (0.0004 mole) of tetrakis(triphenylphosphine)palladium(0) was added to a stirred mixture of 2.8 grams (0.0132 mole) of 2-amino-5-bromo-6-methylbenzonitrile (prepared as in Step C of Example 1), 35 mL of aqueous 2M sodium carbonate and 50 mL of toluene. To this was then added dropwise a solution of 3.3 grams (0.0159 mole) of 3-fluoro-5-trifluoromethylphenylboronic acid in 10 mL of ethanol. Upon completion of addition, the reaction mixture was warmed to about 80° C., where it was stirred for seven hours. After this time the reaction mixture was poured into 200 mL of water. The mixture was then extracted with four 100 mL portions of ethyl acetate. The combined extracts were dried with magnesium sulfate and filtered. The filtrate was concentrated under reduced pressure to a residue. The residue was subjected to column chromatography on silica gel. Elution was accomplished with methylene chloride. The product-containing fractions were combined and concentrated under reduced pressure, yielding 4.0 grams of 2-amino-6-methyl-5-(3-fluoro-5-trifluoromethylphenyl)benzonitrile, mp 96°-97° C. The NMR spectrum was consistent with the proposed structure.

출처 및 근거

DOI10.6084/m9.figshare.5104873.v1
특허 번호US05616718
출처 데이터셋uspto-grants-1997_04
ORD IDord-9483538f22d146ea827a30ec54953ed3
출처 메모uspto-grants-1997_04