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Acetic Acid → HCID 89692879, Verbindung

HRID 1481861
Notizen
Druckvorschau

Reaktionsgleichung

Reaktionsgleichung von HRID 1481861
[N+:1]([C:4]1[CH:13]=[C:12]2[C:7]([CH2:8][CH2:9][N:10]([CH2:15][CH2:16][CH2:17][N:18]3[CH2:22][CH2:21][CH2:20][C:19]3=[O:23])[C:11]2=[O:14])=[CH:6][C:5]=1[N:24]1[CH2:29][CH2:28][N:27]([C:30]2[CH:35]=[CH:34][CH:33]=[CH:32][C:31]=2[CH3:36])[CH2:26][CH2:25]1)([O-])=O.C(O)(=O)C>C(O)C.[Fe]>[NH2:1][C:4]1[CH:13]=[C:12]2[C:7]([CH2:8][CH2:9][N:10]([CH2:15][CH2:16][CH2:17][N:18]3[CH2:22][CH2:21][CH2:20][C:19]3=[O:23])[C:11]2=[O:14])=[CH:6][C:5]=1[N:24]1[CH2:25][CH2:26][N:27]([C:30]2[CH:35]=[CH:34][CH:33]=[CH:32][C:31]=2[CH3:36])[CH2:28][CH2:29]1
KomponentenReaktionsbedingungenVersuchsvorschriftAufarbeitungQuellen und NachweiseNotizen zur Reaktion

Komponenten

5

Edukt 2

HCID 176Acetic AcidHCID 89692878HCID 89692878, Verbindung

Produkt 1

HCID 89692879HCID 89692879, VerbindungAusbeute 66,7 %

Reagenzien, Katalysatoren, Lösungsmittel 2

HCID 23925IronKatalysatorHCID 702EthanolLösungsmittel2×

Reaktionsbedingungen

Temperatur
75 °C

Versuchsvorschrift

In a 25 ml round-bottom flask equipped with a magnetic stir bar, the iron powder (204.00 mg, 3.65 mmol) was suspended in clean, dry ethanol (8.00 ml, 137.01 mmol) at room temperature under an inert nitrogen atmosphere. To this was added the 7-nitro-2-[3-(2-oxo-pyrrolidin-1-yl)-propyl]-6-(4-o-tolyl-piperazin-1-yl)-3,4-dihydro-2H-isoquinolin-1-one 10c (71.80 mg, 0.15 mmol) dissolved in 1 ml of ethanol followed by the addition of acetic acid (2.00 ml, 34.94 mmol). The reaction mixture was warmed to 75° C. and was allowed to stir overnight. The reaction was cooled to room temperature and the mixture was filtered through Celite, washing with methanol. The collected solution was then concentrated under reduced pressure. The resultant ruby red oil was then diluted with 50 ml of ethyl acetate and the solution was neutralized with 30 ml of saturated NaHCO3 (aq) solution. The layers were then separated and the product was extracted from the aqueous using ethyl acetate (3×30 ml). The organic phases were combined, washed with brine (1×50 ml) and dried over Na2SO4. The solution was then decanted and the solvent was removed under reduced pressure. The product was then purified from the ruby red concentrate using silica gel column chromatography, eluting a gradient of 100% dichloromethane to 10% MeOH in dichloromethane. The product, 7-amino-2-[3-(2-oxo-pyrrolidin-1-yl)-propyl]-6-(4-o-tolyl-piperazin-1-yl)-3,4-dihydro-2H-isoquinolin-1-one 10d (48.10 mg, 0.10 mmol), was isolated as an off-white solid and was carried forward without further purification. LCMS (m/e)=462 (M+H).

Aufarbeitung

  1. customIn a 25 ml round-bottom flask equipped with a magnetic stir bar
  2. customat room temperature
  3. temperatureThe reaction was cooled to room temperature
  4. filtrationthe mixture was filtered through Celite
  5. washwashing with methanol
  6. concentrationThe collected solution was then concentrated under reduced pressure
  7. additionThe resultant ruby red oil was then diluted with 50 ml of ethyl acetate
  8. customThe layers were then separated
  9. extractionthe product was extracted from the
  10. washwashed with brine (1×50 ml)
  11. dry with materialdried over Na2SO4
  12. customThe solution was then decanted
  13. customthe solvent was removed under reduced pressure
  14. customThe product was then purified from the ruby red
  15. concentrationconcentrate
  16. washeluting a gradient of 100% dichloromethane to 10% MeOH in dichloromethane

Quellen und Nachweise

ORD-Eintrag
ord-09f31bf056e742c392074d6b6ebaaf0f
Quelldatensatz
uspto-grants-2016_08
DOI
10.6084/m9.figshare.5104873.v1
Patentnummer
US09409897B2

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