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Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
HRID 1723911생성일: 2026년 10월 25일

Methanol → 1-(4-Fluoro-phenyl)4a-methyl-4,4a,5,6,7,8-hexahydro-1H-benzo[f]indazole-5-carbaldehyde

https://huagongshe.com/reaction/1723911

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참여 물질

역할이름HCID투입량
반응물MethanolHCID 887—
반응물Methoxymethyl-triphenylphosphonium chlorideHCID 2723798—
반응물Potassium bis(trimethylsilyl)amideHCID 3251421—
반응물1-(4-Fluoro-phenyl)-4a-methyl-1,4,4a,6,7,8-hexahydro-benzo[f]indazol-5-oneHCID 22605992—
용매Hydrochloric AcidHCID 313—
용매WaterHCID 962—
용매TetrahydrofuranHCID 8028—
생성물1-(4-Fluoro-phenyl)4a-methyl-4,4a,5,6,7,8-hexahydro-1H-benzo[f]indazole-5-carbaldehydeHCID 2260597170.2%

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온도0 °C

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To a cold (−30° C.) solution of (methoxymethyl)triphenylphosphonium chloride (13.85 g, 40.4 mmol) in THF (40 mL), was added KHMDS (0.5M in toluene, 70.8 mL, 35.4 mmol). The resulting red solution was stirred at 0° C. for 15 minutes before being treated with a solution of 205 (3 g, 10.1 mmol) in THF (40 mL). The mixture was stirred at room temperature for 24 hours. A solution of methanol in THF (1:1, 40 mL) and 4 N HCl (30 mL) was added to the mixture at 0° C. The resulting solution was allowed to stir at room temperature for 26 hours and was them poured into water (30 mL) and extracted with ether (4×50 mL). The combined organic layers were washed with brine, dried (MgSO4), and concentrated. Purification of the residue by flash chromatography on silica gel (0-50% ethyl acetate-hexanes) gave 2.2 g (70%) of 207 as a yellow solid. A small portion was further purified via bisulfite addition for characterization. 1H NMR (CDCl3) δ 1.12 (s, 3H), 1.35-1.49 (m, 1H), 1.67-1.8 (m, 1H), 1.87-2.0 (m, 2H), 2.28-2.48 (m, 3H), 2.9 (d, J=16.0 Hz, 1H), 3.1 (d, J=16.0 Hz, 1H), 6.18 (s, 1H), 7.16 (t, J=8.5 Hz, 2H), 7.42-7.48 (m, 3H), 9.90 (d, J=2.0 Hz, 1H); 13C NMR (CDCl3) 203.99, 162.64, 160.18, 147.26, 137.77, 136.35, 135.65, 135.62, 125.36, 125.32, 125.24, 116.09, 115.87, 113.36, 109.93, 60.78, 39.90, 34.55, 32.10, 24.52, 22.62, 18.96.

출처 및 근거

DOI10.6084/m9.figshare.5104873.v1
특허 번호US07485660B2
출처 데이터셋uspto-grants-2009_02
ORD IDord-2bfd316c3636451aa104f707a9c29ff5
출처 메모uspto-grants-2009_02