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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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Reaktionsgleichung

Reaktionsgleichung von HRID 1615487
[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
KomponentenReaktionsbedingungenVersuchsvorschriftAufarbeitungQuellen und NachweiseNotizen zur Reaktion

Komponenten

9

Edukt 4

HCID 79532,4,6-Trimethylpyridine2×HCID 24412Potassium Persulfate2×HCID 312751,4-Dioxane2×HCID 681829575-chloro-2'-pyridin-4-yl-6',7'-dihydro-3H,5'H-spiro[2-benzofuran-1,4'-[1]benzothiophen]-3-one

Produkt 1

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

Reagenzien, Katalysatoren, Lösungsmittel 4

HCID 24463Copper sulfate pentahydrateKatalysator2×HCID 962WaterLösungsmittel2×HCID 6342AcetonitrileLösungsmittelHCID 8857Ethyl AcetateLösungsmittel

Reaktionsbedingungen

Temperatur
80 °C

Versuchsvorschrift

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).

Aufarbeitung

  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)

Quellen und Nachweise

ORD-Eintrag
ord-523619b599b84fec8565f3680775040b
Quelldatensatz
uspto-grants-2014_07
DOI
10.6084/m9.figshare.5104873.v1
Patentnummer
US08765746B2

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