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Hydrochloric Acid → 6-[2-(2-chloro-4-methoxy-phenyl)-acetyl]-4-methyl-4H-benzo[1,4]oxazin-3-one

HRID 2096766
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Druckvorschau

Reaktionsgleichung

Reaktionsgleichung von HRID 2096766
[Cl:1][C:2]1[CH:7]=[C:6]([O:8][CH3:9])[CH:5]=[CH:4][C:3]=1[CH2:10][C:11]([OH:13])=O.C(Cl)(=O)C(Cl)=O.[CH3:20][N:21]1[C:26]2[CH:27]=[CH:28][CH:29]=[CH:30][C:25]=2[O:24][CH2:23][C:22]1=[O:31].[Al+3].[Cl-].[Cl-].[Cl-].Cl>O1CCCC1.ClCCCl.CN(C)C=O>[Cl:1][C:2]1[CH:7]=[C:6]([O:8][CH3:9])[CH:5]=[CH:4][C:3]=1[CH2:10][C:11]([C:28]1[CH:29]=[CH:30][C:25]2[O:24][CH2:23][C:22](=[O:31])[N:21]([CH3:20])[C:26]=2[CH:27]=1)=[O:13]
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Komponenten

9

Edukt 5

HCID 313Hydrochloric AcidHCID 65578Oxalyl chlorideHCID 890322H-1,4-Benzoxazin-3(4H)-one,4-methyl-HCID 42091322-(2-Chloro-4-methoxyphenyl)acetic acidHCID 6451240Aluminum(III) Chloride

Produkt 1

HCID 666972526-[2-(2-chloro-4-methoxy-phenyl)-acetyl]-4-methyl-4H-benzo[1,4]oxazin-3-one

Reagenzien, Katalysatoren, Lösungsmittel 3

HCID 111,2-DichloroethaneLösungsmittel2×HCID 6228DimethylformamideLösungsmittelHCID 8028TetrahydrofuranLösungsmittel

Versuchsvorschrift

To a solution of (2-chloro-4-methoxy-phenyl)-acetic acid (CAS Reg. No. 91367-09-8) (20 g, 100 mmol) in tetrahydrofuran (400 ml) were added N,N-dimethylformamide (1 ml) and oxalylchloride (20.2 g, 160 mmol) dropwise (15 min). The mixture was stirred overnight at room temperature. The solvent was evaporated; toluene was added and again evaporated. The residue was dried under high vacuum to give the crude acid chloride. To a cooled solution (ice bath) of 4-methyl-2H-1,4-benzoxazin-3(4H)-one (16.6 g, 100 mmol) in 1,2-dichloroethane (110 ml) was added AlCl3 (39.9 g, 300 mmol). The mixture was stirred for 30 min and a solution of the acid chloride in 1,2-dichloroethane (110 ml) was added dropwise during 1.2 h at 2° C. The mixture was stirred at 0° C. for 4.5 h. The mixture was poured into ice water and hydrochloric acid and extracted three times with dichloromethane. The organic phases were dried (MgSO4), filtered and concentrated. The residue was dried under high vacuum for 17 h. The solid product was stirred with ethanol (180 ml) for 1.5 h at r.t., filtered off and dried under high vacuum to give the title compound (26.1 g) as an off-white solid. MS (m/e)=346.1 [M+H+].

Aufarbeitung

  1. customThe solvent was evaporated
  2. additiontoluene was added
  3. customagain evaporated
  4. customThe residue was dried under high vacuum
  5. customto give the crude acid chloride
  6. stirringThe mixture was stirred for 30 min
  7. stirringThe mixture was stirred at 0° C. for 4.5 h
  8. extractionextracted three times with dichloromethane
  9. dry with materialThe organic phases were dried (MgSO4)
  10. filtrationfiltered
  11. concentrationconcentrated
  12. customThe residue was dried under high vacuum for 17 h
  13. stirringThe solid product was stirred with ethanol (180 ml) for 1.5 h at r.t.
  14. filtrationfiltered off
  15. customdried under high vacuum

Quellen und Nachweise

ORD-Eintrag
ord-1a52a5aad12641edac8e58dc2d0dd86f
Quelldatensatz
uspto-grants-2013_05
DOI
10.6084/m9.figshare.5104873.v1
Patentnummer
US08450313B2

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