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2,4,6-Trimethylpyridine → N-{4-[4-(4-chlorophenyl)-7-oxo-4,5,6,7-tetrahydro-1-benzothien-2-yl]pyridin-2-yl}acetamide

HRID 1615491
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HRID 1615491 반응식
[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([CH:8]2[C:13]3[CH:14]=[C:15]([C:17]4[CH:22]=[CH:21][N:20]=[C:19]([NH:23][C:24](=[O:26])[CH3:25])[CH:18]=4)[S:16][C:12]=3[CH2:11][CH2:10][CH2:9]2)=[CH:4][CH:3]=1.[O:27]1CCOCC1.S(OOS([O-])(=O)=O)([O-])(=O)=O.[K+].[K+].CC1C=C(C)N=C(C)C=1>O.O.O.O.O.O.S([O-])([O-])(=O)=O.[Cu+2].C(#N)C>[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([CH:8]2[C:13]3[CH:14]=[C:15]([C:17]4[CH:22]=[CH:21][N:20]=[C:19]([NH:23][C:24](=[O:26])[CH3:25])[CH:18]=4)[S:16][C:12]=3[C:11](=[O:27])[CH2:10][CH2:9]2)=[CH:4][CH:3]=1
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참가 물질

8

반응물 4

HCID 79532,4,6-TrimethylpyridineHCID 24412Potassium PersulfateHCID 312751,4-DioxaneHCID 68183050N-{4-[4-(4-chlorophenyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]pyridin-2-yl}acetamide

생성물 1

HCID 56971117N-{4-[4-(4-chlorophenyl)-7-oxo-4,5,6,7-tetrahydro-1-benzothien-2-yl]pyridin-2-yl}acetamide수율 40%

시약·촉매·용매 3

HCID 24463Copper sulfate pentahydrate촉매HCID 962Water용매HCID 6342Acetonitrile용매

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온도
90 °C

실험 절차

In a 100 mL round bottomed flask was placed N-{4-[4-(4-chlorophenyl)-4,5,6,7-tetrahydro-1-benzothien-2-yl]pyridin-2-yl}acetamide (229.6 mg, 0.5996 mmol), 1,4-dioxane (15 mL) and acetonitrile (15 mL). To the mixture were added a solution of potassium persulfate (665.0 mg, 2.460 mmol) and copper (II) sulfate pentahydrate (68.9 mg, 0.276 mmol) in water (30 mL) and γ-collidine (320 uL, 2.4 mmol). The resulting blue-white suspension was stirred for 16 hr at 90° C. The mixture was allowed to cool to rt and then concentrated under reduced pressure to remove 1,4-dioxane and acetonitrile. The aqueous residue was extracted with EtOAc (50 mL×2). The combined organic phases were washed with 10% NaHSO3 aq (30 mL), saturated aqueous solution of NaHCO3 (30 mL), saturated aqueous solution of ammonium chloride (30 mL), and dried over anhydrous MgSO4. Insoluble materials were removed by filtration and the filtrate was concentrated under reduced pressure. The residue was purified by prepacked silica gel (24 g) column chromatography, eluting with 20% to 100% EtOA/hexane to yield the title compound (95 mg; 40%) as a colorless foam, which was recrystallized from EtOAc and ether to obtain a colorless crystalline solid. LCMS: (FA) ES+ 397, 399; 1H NMR (400 MHz, d6-DMSO) δ ppm 10.64 (br s, 1H), 8.30-8.34 (m, 2H), 7.40-7.45 (m, 3H), 7.29 (d, 2H), 7.21 (s, 1H), 4.39 (dd, 1H), 2.59-2.75 (m, 1H), 2.20-2.52 (m, 3H), 2.09 (s, 3H).

후처리

  1. customIn a 100 mL round bottomed flask was placed
  2. temperatureto cool to rt
  3. concentrationconcentrated under reduced pressure
  4. customto remove 1,4-dioxane and acetonitrile
  5. extractionThe aqueous residue was extracted with EtOAc (50 mL×2)
  6. washThe combined organic phases were washed with 10% NaHSO3 aq (30 mL), saturated aqueous solution of NaHCO3 (30 mL), saturated aqueous solution of ammonium chloride (30 mL)
  7. dry with materialdried over anhydrous MgSO4
  8. customInsoluble materials were removed by filtration
  9. concentrationthe filtrate was concentrated under reduced pressure
  10. customThe residue was purified by prepacked silica gel (24 g) column chromatography
  11. washeluting with 20% to 100% EtOA/hexane

출처 및 근거

ORD 기록
ord-c5cc3b612ddb4215843dbf214724e727
출처 데이터셋
uspto-grants-2014_07
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08765746B2

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