Dimethylformamide → 2-(4-Amino-3-heptafluoropropyl-5-methyl-pyrazol-1-yl)-1-[4-(4-chloro-phenyl)-piperazin-1-yl]-ethanone

HRID 270905노트

반응식

HRID 270905 반응식
[NH2:1][C:2]1[C:3]([C:8]([F:17])([F:16])[C:9]([F:15])([F:14])[C:10]([F:13])([F:12])[F:11])=[N:4][NH:5][C:6]=1[CH3:7].C([O-])([O-])=O.[K+].[K+].Cl[CH2:25][C:26]([N:28]1[CH2:33][CH2:32][N:31]([C:34]2[CH:39]=[CH:38][C:37]([Cl:40])=[CH:36][CH:35]=2)[CH2:30][CH2:29]1)=[O:27].CN(C=O)C>CCCCCC.C(OCC)(=O)C>[NH2:1][C:2]1[C:3]([C:8]([F:17])([F:16])[C:9]([F:14])([F:15])[C:10]([F:11])([F:12])[F:13])=[N:4][N:5]([CH2:25][C:26]([N:28]2[CH2:29][CH2:30][N:31]([C:34]3[CH:39]=[CH:38][C:37]([Cl:40])=[CH:36][CH:35]=3)[CH2:32][CH2:33]2)=[O:27])[C:6]=1[CH3:7]

참가 물질

6

반응물 4

HCID 6228DimethylformamideHCID 11430Potassium CarbonateHCID 40539571-(Chloroacetyl)-4-(4-chlorophenyl)piperazineHCID 210711353-Heptafluoropropyl-5-methyl-1H-pyrazol-4-ylamine

생성물 1

HCID 210710532-(4-Amino-3-heptafluoropropyl-5-methyl-pyrazol-1-yl)-1-[4-(4-chloro-phenyl)-piperazin-1-yl]-ethanone

시약·촉매·용매 1

HCID 21226206Ethyl acetate hexane용매

실험 절차

Protocol T was followed using 4-Amino-3-heptafluoropropyl-5-methyl-1H-pyrazole, K2CO3, 2-Chloro-1-[4-(4-chloro-phenyl)-piperazin-1-yl]-ethanone and DMF. Column chromatography using a solvent mixture (hexane/ethyl acetate=1/4, Rf=0.42) afforded the title compound as colorless oil. 1H NMR (400 MHz, CDCl3); 6.88-6.94 (d, 2H), 7.22-7.26 (d, 2H), 4.98 (s, 2H), 3.64-3.82 (m, 4H), 3.1-3.22 (m, 4H), 2.98 (s, 2H), 2.18 (s, 3H). MS (ES) M+H) expected=501.82, found 502.1.

출처 및 근거

ORD 기록
ord-1708981081bf4aaf8424a2cbe501c6eb
출처 데이터셋
uspto-grants-2008_11
특허 번호
US07449576B1

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