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HRID 77697作成日:2026年10月25日

Toluene → N-(6-Methyl-3'-nitrobiphenyl-3-yl)-3-(trifluoromethyl)benzamide

https://huagongshe.com/reaction/77697

反応式

関与物質

役割名称HCID仕込み量
反応物TolueneHCID 1140—
反応物3-Nitrophenylboronic AcidHCID 1677—
反応物Potassium CarbonateHCID 11430—
反応物N-(3-iodo-4-methylphenyl)-3-(trifluoromethyl)benzamideHCID 7925506—
触媒HCID 178418397HCID 178418397—
溶媒EthanolHCID 702—
生成物N-(6-Methyl-3'-nitrobiphenyl-3-yl)-3-(trifluoromethyl)benzamideHCID 69045292102%

反応手順

To N-(3-iodo-4-methylphenyl)-3-(trifluoromethyl)benzamide (400 mg, 0.99 mmol) was added (3-nitrophenyl)boronic acid (180 mg, 1.1 mmol) followed by toluene (8.2 mL), ethanol (1.1 mL), and K2CO3 (270 mg, 2.0 mmol in 1.1 mL water). The resulting mixture was degassed with N2, then tetrakis(triphenylphosphine)palladium(0) (60 mg, 0.05 mmol) was added. The mixture was degassed again, then heated under reflux condenser and N2 atmosphere at 90° C. until LCMS and TLC indicated complete reaction, typically 16 hours. The reaction was then cooled to ambient temperature and transferred to a separatory funnel and partitioned between water and EtOAc. The phases were separated and the organic phase was washed with water, then saturated aqueous NaCl. The washed organic phase was then dried (MgSO4) and evaporated to dryness to leave the crude product, which was purified by column chromatography to give the product (402 mg, 102%). 1H NMR (400 MHz, CDCl3): δ 8.23 (m, 2H), 8.12 (s, 1H), 8.07 (d, 1H), 7.88 (bs, 1H), 7.82 (d, 1H), 7.6 (m, 4H), 7.32 (d, 1H), 2.27 (s, 3H). MS (EI) m/z=401 (M+H).

情報源と証拠

DOI10.6084/m9.figshare.5104873.v1
特許番号US08841318B2
出典データセットuspto-grants-2014_09
ORD IDord-ce65daeea6594180857433cc59c5073c
出典メモuspto-grants-2014_09