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HRID 40947作成日:2026年10月23日

1,8-Diazabicyclo(5.4.0)undec-7-ene → 3-(3-nitrophenyl)-3-[4-(7-[2-(trimethylsilyl)ethoxy]methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile

https://huagongshe.com/ja/reaction/40947

反応式

関与物質

役割名称HCID仕込み量
反応物1,8-Diazabicyclo(5.4.0)undec-7-eneHCID 81184—
反応物4-(1H-Pyrazol-4-yl)-7-(2-(trimethylsilyl)ethoxy)methyl-7 H-pyrrolo(2,3-d)-pyrimidineHCID 42631346—
反応物(2Z)-3-(3-nitrophenyl)acrylonitrileHCID 66597567—
溶媒AcetonitrileHCID 6342—
生成物3-(3-nitrophenyl)-3-[4-(7-[2-(trimethylsilyl)ethoxy]methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrileHCID 57480652—

反応条件

温度67 °C

反応手順

To 4-(1H-pyrazol-4-yl)-7-[2-(trimethylsilyl)ethoxy]methyl-7H-pyrrolo[2,3-d]pyrimidine (0.500 g, 0.00158 mol) in 8.0 mL of dry ACN was added DBU (0.24 mL, 0.0016 mol) followed by addition of (2Z)-3-(3-nitrophenyl)acrylonitrile (0.36 g, 0.0021 mol) in 2.0 mL of ACN. The reaction mixture was heated at 67° C. for 18 hours. This was cooled to room temperature, and the mixture was partitioned between diluted hydrochloric acid and ethyl acetate. The organic layer was washed with saturated sodium chloride, dried over anhydrous magnesium sulfate, and concentrated. The crude product was purified by flash chromatography on silica gel using ethyl acetate-hexanes 6:4, to give 3-(3-nitrophenyl)-3-[4-(7-[2-(trimethylsilyl)ethoxy]methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile as a dark orange oil, (688 mg, 88.65%). LCMS (M+1)+: 490

情報源と証拠

DOI10.6084/m9.figshare.5104873.v1
特許番号US08530485B2
出典データセットuspto-grants-2013_09
ORD IDord-095e0933dd7a4bc3a642a1f94f0c195e
出典メモuspto-grants-2013_09