Dimethylformamide → 1-{2-[4-(4-Fluoro-phenyl)-piperazin-1-yl]-2-oxo-ethyl}-1H-pyrazole-4-carboxylic acid ethyl ester

HRID 1372112

반응식

HRID 1372112 반응식
[CH2:1]([O:3][C:4]([C:6]1[CH:7]=[N:8][NH:9][CH:10]=1)=[O:5])[CH3:2].C([O-])([O-])=O.[K+].[K+].Cl[CH2:18][C:19]([N:21]1[CH2:26][CH2:25][N:24]([C:27]2[CH:32]=[CH:31][C:30]([F:33])=[CH:29][CH:28]=2)[CH2:23][CH2:22]1)=[O:20].CN(C=O)C>CCCCCC.C(OCC)(=O)C>[CH2:1]([O:3][C:4]([C:6]1[CH:7]=[N:8][N:9]([CH2:18][C:19]([N:21]2[CH2:22][CH2:23][N:24]([C:27]3[CH:32]=[CH:31][C:30]([F:33])=[CH:29][CH:28]=3)[CH2:25][CH2:26]2)=[O:20])[CH:10]=1)=[O:5])[CH3:2]

참가 물질

6

반응물 4

HCID 6228DimethylformamideHCID 11430Potassium CarbonateHCID 142179ethyl 1H-pyrazole-4-carboxylateHCID 18485111-(Chloroacetyl)-4-(4-fluorophenyl)piperazine

생성물 1

HCID 587780261-{2-[4-(4-Fluoro-phenyl)-piperazin-1-yl]-2-oxo-ethyl}-1H-pyrazole-4-carboxylic acid ethyl ester

시약·촉매·용매 1

HCID 21226206Ethyl acetate hexane용매

실험 절차

Protocol T was followed using 1H-Pyrazole-4-carboxylic acid ethyl ester, K2CO3, 2-Chloro-1-[4-(4-fluoro-phenyl)-piperazin-1-yl]-ethanone and DMF. Column chromatography using a solvent mixture (hexane/ethyl acetate=1/1) afforded the title compound as a white solid. 1H NMR (400 MHz, CDCl3): 8.2 (s, 1H), 7.92 (s, 1H), 6.94–7.0 (m, 2H), 6.82–6.88 (m, 2H), 5.0 (s, 2H), 4.1–4.2 (q, 2H), 3.74–3.82 (t, 2H), 3.62–3.72 (t, 2H), 3.0–3.12 (m, 4H), 1.28–1.42 (t, 3H). MS (ES) M+H expected 360.39, found 361.1.

출처 및 근거

ORD 기록
ord-747117f752194e90b7f13bbba033f978
출처 데이터셋
uspto-grants-2007_01
특허 번호
US07157464B2

연결된 노트

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