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Hydrochloric Acid → N2-(3-cyanomethyl-2,4,6-trimethylphenyl)-3-[(3,4-dimethyl-5-isoxazolyl)sulfamoyl]-2-thiophenecarboxamide

HRID 2229920
Notizen
Druckvorschau

Reaktionsgleichung

Reaktionsgleichung von HRID 2229920
[C:1]([CH2:3][C:4]1[C:5]([CH3:34])=[C:6]([NH:12][C:13]([C:15]2[S:16][CH:17]=[CH:18][C:19]=2[S:20]([N:23]([C:27]2[O:31][N:30]=[C:29]([CH3:32])[C:28]=2[CH3:33])COC)(=[O:22])=[O:21])=[O:14])[C:7]([CH3:11])=[CH:8][C:9]=1[CH3:10])#[N:2].Cl>C1COCC1>[C:1]([CH2:3][C:4]1[C:5]([CH3:34])=[C:6]([NH:12][C:13]([C:15]2[S:16][CH:17]=[CH:18][C:19]=2[S:20](=[O:22])(=[O:21])[NH:23][C:27]2[O:31][N:30]=[C:29]([CH3:32])[C:28]=2[CH3:33])=[O:14])[C:7]([CH3:11])=[CH:8][C:9]=1[CH3:10])#[N:2]
KomponentenReaktionsbedingungenVersuchsvorschriftAufarbeitungQuellen und NachweiseNotizen zur Reaktion

Komponenten

4

Edukt 2

HCID 313Hydrochloric AcidHCID 54326638N2-(3-cyanomethyl-2,4,6-trimethylphenyl)-3-[N-(3,4-dimethylisoxazol-5-yl)-N-methoxymethylaminosulfonyl]-2-thiophenecarboxamide

Produkt 1

HCID 10623757N2-(3-cyanomethyl-2,4,6-trimethylphenyl)-3-[(3,4-dimethyl-5-isoxazolyl)sulfamoyl]-2-thiophenecarboxamide

Reagenzien, Katalysatoren, Lösungsmittel 1

HCID 8028TetrahydrofuranLösungsmittel

Reaktionsbedingungen

Temperatur
65 °C

Versuchsvorschrift

To a solution of N2-(3-cyanomethyl-2,4,6-trimethylphenyl)-3-[N-(3,4-dimethylisoxazol-5-yl)-N-methoxymethylaminosulfonyl]-2-thiophenecarboxamide (2.29 g, 4.56 mmol) in THF (10 mL) was added concentrated hydrochloric acid (5 mL). The reaction was heated at 65° C. for 2 hours, then allowed to cool to room temperature. The mixture was poured into ice water (100 mL), extracted with ethyl acetate (3×100 mL), washed with saturated sodium chloride (150 mL), dried (MgSO4), then concentrated. The residue was purified by reverse-phase HPLC (20-80% acetonitrile in water). Acetonitrile was removed in vacuo. The aqueous layer was extracted with ethyl acetate (3×100 mL). The extracts were combined and washed with saturated sodium chloride (200 mL), then with saturated sodium bicarbonate (3×200 mL). The organic layer was washed with saturated sodium chloride (200 mL), dried (MgSO4), then concentrated. The residue was purified by reverse-phase HPLC (20-80% acetonitrile in water). Acetonitrile was removed in vacuo. The aqueous layer was extracted with ethyl acetate (3×100 mL). The extracts were combined and washed with saturated sodium chloride (200 mL), then with saturated sodium bicarbonate (3×200 mL). The organic layer was washed with saturated sodium chloride (200 mL), dried (MgSO4), then concentrated. The residue was dissolved in water (300 mL) and lyophilized to give N2-(3-cyanomethyl-2,4,6-trimethylphenyl)-3-[(3,4-dimethyl-5-isoxazolyl)sulfamoyl]-2-thiophenecarboxamide, Na-salt (0.45 g, 21%) as a white powder, mp 153-173° C. 1H NMR (400 MHZ, DMSO-d6δ7.69 (d, J=4.76 Hz, 1H), 7.35 (d, J=5.16 Hz, 1H), 7.02 (s, 1H), 3.90 (s, 2H), 2.32 (s, 3H), 2.20 (s, 3H), 2.13 (s, 3H), 1.95 (s, 3H), 1.55 (s, 3H) IR (KBr) 3449, 2249, 1623, 1421, 1121 cm−1.

Aufarbeitung

  1. temperatureto cool to room temperature
  2. extractionextracted with ethyl acetate (3×100 mL)
  3. washwashed with saturated sodium chloride (150 mL)
  4. dry with materialdried (MgSO4)
  5. concentrationconcentrated
  6. customThe residue was purified by reverse-phase HPLC (20-80% acetonitrile in water)
  7. customAcetonitrile was removed in vacuo
  8. extractionThe aqueous layer was extracted with ethyl acetate (3×100 mL)
  9. washwashed with saturated sodium chloride (200 mL)
  10. washThe organic layer was washed with saturated sodium chloride (200 mL)
  11. dry with materialdried (MgSO4)
  12. concentrationconcentrated
  13. customThe residue was purified by reverse-phase HPLC (20-80% acetonitrile in water)
  14. customAcetonitrile was removed in vacuo
  15. extractionThe aqueous layer was extracted with ethyl acetate (3×100 mL)
  16. washwashed with saturated sodium chloride (200 mL)
  17. washThe organic layer was washed with saturated sodium chloride (200 mL)
  18. dry with materialdried (MgSO4)
  19. concentrationconcentrated
  20. dissolutionThe residue was dissolved in water (300 mL)

Quellen und Nachweise

ORD-Eintrag
ord-4a02a3d4a1b1446c8790199c5daa91ba
Quelldatensatz
uspto-grants-2002_07
DOI
10.6084/m9.figshare.5104873.v1
Patentnummer
US06420567B1

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