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Triethylamine → methyl N-({3'-fluoro-4'-[(6-fluoro-1,3-benzothiazol-2-yl)amino]biphenyl-4-yl}carbonyl)-L-valinate

HRID 2356817
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HRID 2356817 반응식
[F:1][C:2]1[CH:3]=[C:4]([C:19]2[CH:24]=[CH:23][C:22]([C:25](O)=[O:26])=[CH:21][CH:20]=2)[CH:5]=[CH:6][C:7]=1[NH:8][C:9]1[S:10][C:11]2[CH:17]=[C:16]([F:18])[CH:15]=[CH:14][C:12]=2[N:13]=1.Cl.[CH3:29][O:30][C:31](=[O:37])[C@H:32]([CH:34]([CH3:36])[CH3:35])[NH2:33].C(N(CC)CC)C.ON1C2C=CC=CC=2N=N1.C(N=C=NC(C)C)(C)C>C(Cl)Cl.CCOC(C)=O.CN(C=O)C>[F:1][C:2]1[CH:3]=[C:4]([C:19]2[CH:24]=[CH:23][C:22]([C:25]([NH:33][C@H:32]([C:31]([O:30][CH3:29])=[O:37])[CH:34]([CH3:36])[CH3:35])=[O:26])=[CH:21][CH:20]=2)[CH:5]=[CH:6][C:7]=1[NH:8][C:9]1[S:10][C:11]2[CH:17]=[C:16]([F:18])[CH:15]=[CH:14][C:12]=2[N:13]=1
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참가 물질

9

반응물 5

HCID 8471TriethylamineHCID 12734DiisopropylcarbodiimideHCID 757711-HydroxybenzotriazoleHCID 111190Methyl valinate hydrochlorideHCID 7147096HCID 7147096, 화합물

생성물 1

HCID 59009703methyl N-({3'-fluoro-4'-[(6-fluoro-1,3-benzothiazol-2-yl)amino]biphenyl-4-yl}carbonyl)-L-valinate

시약·촉매·용매 3

HCID 6228Dimethylformamide용매HCID 6344Dichloromethane용매HCID 8857Ethyl Acetate용매

실험 절차

3′-Fluoro-4′-[(6-fluoro-1,3-benzothiazol-2-yl)amino]biphenyl-4-carboxylic acid (0.084 g, 0.22 mmol) and L-valine methyl ester hydrochloride (0.044 g, 0.26 mmol) were suspended in CH2Cl2 (5 mL), and triethylamine (0.04 mL, 0.26 mmol), 1-hydroxybenzotriazole (0.0296 g, 0.22 mmol), and N,N′-diisopropylcarbodiimide (0.030 mL, 0.22 mmol) were added. DMF (2.0 mL) was added to achieve dissolution, and the reaction mixture was stirred at rt overnight. The reaction mixture was diluted with EtOAc (50 mL) and was washed with water (2×50 mL) and brine (50 mL). The combined organic phases were dried over MgSO4, filtered, and concentrated in vacuo. The crude material was purified by flash column chromatography (Biotage® system; 30-40% EtOAc/Hexanes gradient). This yielded 90.4 mg (83%) of the desired product as a white solid.

후처리

  1. dissolutiondissolution
  2. washwas washed with water (2×50 mL) and brine (50 mL)
  3. dry with materialThe combined organic phases were dried over MgSO4
  4. filtrationfiltered
  5. concentrationconcentrated in vacuo
  6. customThe crude material was purified by flash column chromatography (Biotage® system; 30-40% EtOAc/Hexanes gradient)

출처 및 근거

ORD 기록
ord-a719b61d202b46cc9249a4da68c76fea
출처 데이터셋
uspto-grants-2010_07
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US07759376B2

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