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Hydrochloric Acid → 2-(1-Benzothien-2-yl)-5-{[2-(1H-1,2,4-triazol-5-ylthio)butanoyl]amino}benzamide

HRID 503697
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HRID 503697 반응식
[S:1]1[C:5]2[CH:6]=[CH:7][CH:8]=[CH:9][C:4]=2[CH:3]=[C:2]1[C:10]1[CH:18]=[CH:17][C:16]([NH:19][C:20](=[O:25])[CH:21](Br)[CH2:22][CH3:23])=[CH:15][C:11]=1[C:12]([NH2:14])=[O:13].[SH:26][C:27]1[N:28]=[N:29]C=[CH:31][N:32]=1.C(=O)([O-])[O-].[Cs+].[Cs+].Cl>C(OCC)(=O)C.CN(C=O)C>[S:1]1[C:5]2[CH:6]=[CH:7][CH:8]=[CH:9][C:4]=2[CH:3]=[C:2]1[C:10]1[CH:18]=[CH:17][C:16]([NH:19][C:20](=[O:25])[CH:21]([S:26][C:27]2[NH:28][N:29]=[CH:31][N:32]=2)[CH2:22][CH3:23])=[CH:15][C:11]=1[C:12]([NH2:14])=[O:13]
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참가 물질

7

반응물 4

HCID 313Hydrochloric AcidHCID 10796Cesium carbonateHCID 594284882-(1-Benzothien-2-yl)-5-[(2-bromobutanoyl)amino]benzamideHCID 178527878HCID 178527878, 화합물

생성물 1

HCID 594284892-(1-Benzothien-2-yl)-5-{[2-(1H-1,2,4-triazol-5-ylthio)butanoyl]amino}benzamide

시약·촉매·용매 2

HCID 6228
Dimethylformamide
용매
HCID 8857Ethyl Acetate용매

실험 절차

2-(1-Benzothien-2-yl)-5-[(2-bromobutanoyl)amino]benzamide (Example 9A; 50 mg) is introduced into DMF (1 ml) and, after addition of 3-mercapto-1,2,4-triazine (15 mg) and cesium carbonate (78 mg), stirred at RT overnight. The reaction mixture is mixed with ethyl acetate (50 ml) and 0.5N hydrochloric acid (50 ml), the aqueous phase is extracted with ethyl acetate (twice 50 ml), and the combined organic phases are washed with saturated sodium chloride solution (twice 100 ml). The organic phase is dried over magnesium sulfate and concentrated in a rotary evaporator. The residue is purified on a preparative HPLC. 14 mg (26% of theory) of the title compound are obtained.

후처리

  1. extractionthe aqueous phase is extracted with ethyl acetate (twice 50 ml)
  2. washthe combined organic phases are washed with saturated sodium chloride solution (twice 100 ml)
  3. dry with materialThe organic phase is dried over magnesium sulfate
  4. concentrationconcentrated in a rotary evaporator
  5. customThe residue is purified on a preparative HPLC

출처 및 근거

ORD 기록
ord-3623eb9cbae44fdfaa369fdba95d1308
출처 데이터셋
uspto-grants-2010_08
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US07776922B2

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