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HRID 59859作成日:2026年10月25日

Water → HCID 136413229、化合物

https://huagongshe.com/reaction/59859

反応式

関与物質

役割名称HCID仕込み量
反応物WaterHCID 962—
反応物Potassium CarbonateHCID 11430—
反応物2-Isopropylphenyl isothiocyanateHCID 142052—
反応物3-oxo-N-(4-(1-(4-(trifluoromethoxy)phenyl)-1H-1,2,4-triazol-3-yl)phenyl)-butanamideHCID 86675799—
溶媒DimethylformamideHCID 6228—
生成物HCID 136413229HCID 13641322948.5%

反応手順

A portion of the solid from Step 1 (0.50 g, 1.24 mmol) was dissolved in 5 mL of dry N,N-dimethylformamide (DMF) and stirred at ambient temperature while potassium carbonate (0.25 g, 1.81 mmol) and 2-isopropylphenyl isothiocyanate (0.25 g, 1.41 mmol) were added. The solution was stirred for 18 h, then it was poured into 15 mL of water, extracted with ether, and the solvent evaporated. Chromatography of the crude product (0-70% EtOAc-hexanes) gave 350 mg of the title compound as an off-white solid. mp 141-144° C. 1H NMR (400 MHz, CDCl3) δ 15.35-14.58 (m, 1H), 10.93 (s, 1H), 8.57 (m, 3H), 8.31-8.11 (m, 6H), 7.71 (m, 12H), 7.56-7.30 (m, 15H), 5.35 (s, 1H), 3.02 (heptet, J=6.9 Hz, 1H), 2.52 (s, 3H), 1.35-1.11 (m, 6H); ESIMS m/z 582 ([M+H]+).

情報源と証拠

DOI10.6084/m9.figshare.5104873.v1
特許番号US09440964B2
出典データセットuspto-grants-2016_09
ORD IDord-df36fe8a5ba749379eb9a3c2bd98cf71
出典メモuspto-grants-2016_09