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2,4,6-Trimethylpyridine → 5-chloro-2'-pyridin-4-yl-5',6'-dihydro-3H,7'H-spiro[2-benzofuran-1,4'-[1]benzothiophene]-3,7'-dione

HRID 1615487
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HRID 1615487 반응식
[Cl:1][C:2]1[CH:7]=[CH:6][C:5]2[C:8]3([O:23][C:24](=[O:25])[C:4]=2[CH:3]=1)[C:13]1[CH:14]=[C:15]([C:17]2[CH:22]=[CH:21][N:20]=[CH:19][CH:18]=2)[S:16][C:12]=1[CH2:11][CH2:10][CH2:9]3.[O:26]1CCOCC1.S(OOS([O-])(=O)=O)([O-])(=O)=O.[K+].[K+].CC1C=C(C)N=C(C)C=1>O.CCOC(C)=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]2[C:8]3([O:23][C:24](=[O:25])[C:4]=2[CH:3]=1)[C:13]1[CH:14]=[C:15]([C:17]2[CH:22]=[CH:21][N:20]=[CH:19][CH:18]=2)[S:16][C:12]=1[C:11](=[O:26])[CH2:10][CH2:9]3
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참가 물질

9

반응물 4

HCID 79532,4,6-Trimethylpyridine2회HCID 24412Potassium Persulfate2회HCID 312751,4-Dioxane2회HCID 681829575-chloro-2'-pyridin-4-yl-6',7'-dihydro-3H,5'H-spiro[2-benzofuran-1,4'-[1]benzothiophen]-3-one

생성물 1

HCID 569709015-chloro-2'-pyridin-4-yl-5',6'-dihydro-3H,7'H-spiro[2-benzofuran-1,4'-[1]benzothiophene]-3,7'-dione
수율 3%

시약·촉매·용매 4

HCID 24463Copper sulfate pentahydrate촉매2회HCID 962Water용매2회HCID 6342Acetonitrile용매HCID 8857Ethyl Acetate용매

반응 조건

온도
80 °C

실험 절차

In a 100 mL round bottomed flask was placed 5-chloro-2′-pyridin-4-yl-6′,7′-dihydro-3H,5′H-spiro[2-benzofuran-1,4′-[1]benzothiophen]-3-one (0.714 g, 1.94 mmol) (including side product) along with 1,4-dioxane (20 mL) and acetonitrile (10 mL). To the mixture was added a suspension of potassium persulfate (1.85 g, 6.84 mmol) and copper (II) sulfate pentahydrate (180 mg, 0.72 mmol) in water (20 mL) followed by γ-collidine (0.897 mL, 6.79 mmol). The mixture was stirred for 3.5 hr at 80° C. Again, to the mixture was added a suspension of potassium persulfate (1.96 g, 7.25 mmol) and copper(II) sulfate pentahydrate (20 mg, 0.08 mmol) in water (20 mL, 1000 mmol) followed by γ-collidine (0.9 mL, 7 mmol) and 1,4-dioxane (10 mL, 100 mmol). The mixture was stirred for an additional 16 hr at 80° C. The mixture was allowed to cool to rt and then diluted with EtOAc (50 mL). Insoluble materials were removed by filtration through a celite pad and the aqueous phase was separated from the filtrate. The aqueous phase was extracted with EtOAc (50 mL). The combined organic phases were dried over anhydrous MgSO4. Insoluble materials were removed by filtration and the filtrate was concentrated under reduced pressure. The residue was purified by HPLC (FA) to obtain the title compound (22.5 mg; 3%) as an off-white crystalline solid. LCMS: (FA) ES+ 382, 384; 1H NMR (400 MHz, d6-DMSO) δ ppm 8.59 (dd, 2H), 8.07 (d, 1H), 7.89 (dd, 1H), 7.77 (d, 1H), 7.71 (dd, 2H), 7.46 (s, 1H), 2.47-3.05 (m, 4H).

후처리

  1. customIn a 100 mL round bottomed flask was placed
  2. additionTo the mixture was added
  3. additionAgain, to the mixture was added
  4. stirringThe mixture was stirred for an additional 16 hr at 80° C
  5. temperatureto cool to rt
  6. customInsoluble materials were removed by filtration through a celite pad
  7. customthe aqueous phase was separated from the filtrate
  8. extractionThe aqueous phase was extracted with EtOAc (50 mL)
  9. dry with materialThe combined organic phases were dried over anhydrous MgSO4
  10. customInsoluble materials were removed by filtration
  11. concentrationthe filtrate was concentrated under reduced pressure
  12. customThe residue was purified by HPLC (FA)

출처 및 근거

ORD 기록
ord-523619b599b84fec8565f3680775040b
출처 데이터셋
uspto-grants-2014_07
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08765746B2

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