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Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
HRID 349284생성일: 2026년 10월 26일

Acetonitrile → [5-Amino-3-(2-chloro-phenyl)-pyridazin-4-yl]-[1-(3,5-bis-trifluoromethyl-benzyl)-5-pyridin-4-yl-1H-[1,2,3]triazol-4-yl]-methanone

https://huagongshe.com/reaction/349284

반응식

참여 물질

역할이름HCID투입량
반응물AcetonitrileHCID 6342—
반응물3-[1-(3,5-bis-trifluoromethyl-benzyl)-5-pyridin-4-yl-1H-[1,2,3]triazol-4-yl]-4-(2-chloro-phenyl)-isoxazolo[3,4-d]pyridazineHCID 86601238—
촉매Molybdenum carbonyl (Mo(CO)6)HCID 98885—
용매WaterHCID 962—
생성물[5-Amino-3-(2-chloro-phenyl)-pyridazin-4-yl]-[1-(3,5-bis-trifluoromethyl-benzyl)-5-pyridin-4-yl-1H-[1,2,3]triazol-4-yl]-methanoneHCID 5880405341.9%

반응 조건

온도80 °C

반응 단계

To 3-[1-(3,5-bis-trifluoromethyl-benzyl)-5-pyridin-4-yl-1H-[1,2,3]triazol-4-yl]-4-(2-chloro-phenyl)-isoxazolo[3,4-d]pyridazine (100 mg, 0.166 mmol), add 8.0 ml of acetonitrile, and 170 μL of water, followed by molybdenum hexacarbonyl (22 mg, 0.083 mmol). Heat the mixture to 80° C. for 4 h., then cool to RT. Pour the mixture through a plug of Celite® (1 cm) and silica gel (2 cm). Concentrate and purify the residue by chromatography (silica gel, hexanes/EtOAc gradient) to provide 42 mg of a yellow solid. Exact Mass 603.1: MS (aspci): m/z=603.9 (M+1), m/z=601.9 (M−1); 1H NMR (300 MHz, CDCl3) δ 8.65–8.80 (m, 3H), 7.79 (s, 1H), 7.65 (br d, J=7.4 Hz, 1H), 7.31 (s, 2H), 7.15–7.00 (m, 2H), 6.96 (d, J=7.4 Hz, 1H), 6.87 (br t, J=7.4 Hz, 1H), 6.12 (br s, 2H), 5.21 (ABq, J=22.5, 7.5 Hz, 2H).

출처 및 근거

DOI10.6084/m9.figshare.5104873.v1
특허 번호US07179804B2
출처 데이터셋uspto-grants-2007_02
ORD IDord-b949b268fd1d4f06a08f53ee566942ca
출처 메모uspto-grants-2007_02