関与物質
| 役割 | 名称 | HCID | 仕込み量 |
|---|
| 反応物 | Potassium bis(trimethylsilyl)amide | HCID 3251421 | — |
| 反応物 | 4-Fluoro-2-methylbenzonitrile | HCID 3826055 | — |
| 反応物 | Thiane-4-carbonitrile | HCID 21598641 | — |
| 溶媒 | Tetrahydrofuran | HCID 8028 | — |
| 生成物 | 4-(4-Cyano-3-methylphenyl)tetrahydro-2H-thiopyran-4-carbonitrile | HCID 58298442 | 67.1% |
反応手順
A solution of tetrahydro-2H-thiopyran-4-carbonitrile (197 mg, 1.55 mmol) and THF (2.0 mL) is slowly added via syringe to a mixture of KHMDS (324 mg, 1.63 mmol) in THF (3.0 mL), stirring at −78° C. under nitrogen. The temperature is maintained at −78° C. for 30 min. before a mixture of 4-fluoro-2-methylbenzonitrile (222 mg, 1.64 mmol) in THF (1.0 mL) is slowly added to the vessel. The mixture is allowed to warm to room temperature and is stirred for 3 hours before being quenched with saturated aqueous NH4Cl. The solvent is removed by rotary evaporator and EtOAc (10.0 mL) and water (10.0 mL) are added. The phases are partitioned and the organic is washed with brine, dried with Na2SO4 and concentrated to yield the product (252 mg, 1.04 mmol, 67%). 1H NMR (400 MHz, DMSO-D6) δ ppm 1.84-1.95 (m, 2H), 2.03-2.14 (m, 2H), 2.51 (s, 3H), 2.57-2.72 (m, 4H), 7.23-7.31 (m, 1H), 7.41 (dd, J=9.96, 1.76 Hz, 1H), 7.89 (dd, J=8.59, 5.86 Hz, 1H).
情報源と証拠
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| 特許番号 | US08093402B2 |
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| 出典データセット | uspto-grants-2012_01 |
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| ORD ID | ord-294cf2cad1814cd8b0ac3b130c83bbff |
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| 出典メモ | uspto-grants-2012_01 |
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