Benzoyl isothiocyanate → HCID 86631131, 화합물

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[CH:1]([C:4]1[CH:8]=[C:7]([CH2:9][NH2:10])[O:6][N:5]=1)([CH3:3])[CH3:2].C([N:19]=[C:20]=[S:21])(=O)C1C=CC=CC=1>CO.N>[CH:1]([C:4]1[CH:8]=[C:7]([CH2:9][NH:10][C:20]([NH2:19])=[S:21])[O:6][N:5]=1)([CH3:3])[CH3:2]

참가 물질

실험 절차

The title compound was prepared in accordance with the general method described in Example 12(a) by using 1-(3-isopropyl-isoxazol-5-yl)methylamine (0.85 g, 6.06 mmol), benzoyl isothiocyanate (0.90 mL, 6.67 mmol) and ammonia in methanol (7 N, 30 mL) with the exception that the reaction time for amine with benzoyl isothiocyanate was 12 h and the reaction mixture in ammonia was stirred o.n. Work-up was done by concentrating the reaction mixture in vacuo and adding ethyl acetate (15 mL) and water (15 mL). The is organic layer was separated, dried over sodium sulfate, filtered and concentrated. The residue was triturated with diethyl ether (10 mL) and the solid was removed by filtration. The filtrate was concentrated in vacuo to give the title compound (1.11 g, 91% yield), which was used in the next step without further purification. MS (ESI) m/z 200 (M+1).