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1-Methylpiperazine → 2-Fluoro-4-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)aniline

HRID 536374
Notizen
Druckvorschau

Reaktionsgleichung

Reaktionsgleichung von HRID 536374
Br[C:2]1[C:8]([C:9]([F:12])([F:11])[F:10])=[CH:7][C:5]([NH2:6])=[C:4]([F:13])[CH:3]=1.[CH3:14][N:15]1[CH2:20][CH2:19][NH:18][CH2:17][CH2:16]1.C(P(C(C)(C)C)C1C=CC=CC=1C1C(C(C)C)=CC(C(C)C)=CC=1C(C)C)(C)(C)C.CC([O-])(C)C.[Na+]>C1COCC1>[F:13][C:4]1[CH:3]=[C:2]([N:18]2[CH2:19][CH2:20][N:15]([CH3:14])[CH2:16][CH2:17]2)[C:8]([C:9]([F:12])([F:11])[F:10])=[CH:7][C:5]=1[NH2:6]
KomponentenReaktionsbedingungenVersuchsvorschriftAufarbeitungQuellen und NachweiseNotizen zur Reaktion

Komponenten

6

Edukt 4

HCID 531671-MethylpiperazineHCID 70180464-Bromo-2-fluoro-5-(trifluoromethyl)anilineHCID 11618717Di-tert-butyl(2',4',6'-tris(propan-2-yl)-(1,1'-biphenyl)-2-yl)phosphaneHCID 23676156Sodium t-butoxide

Produkt 1

HCID 671555682-Fluoro-4-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)aniline

Reagenzien, Katalysatoren, Lösungsmittel 1

HCID 8028TetrahydrofuranLösungsmittel

Reaktionsbedingungen

Temperatur
120 °C

Versuchsvorschrift

To a microwave reaction tube was added 4-bromo-2-fluoro-5-(trifluoromethyl)aniline (256 mg, 1.0 mmol), 1-methylpiperazine (300 mg, 3 mmol) Pd2(dba)3 (91.5 mg, 0.1 mmol), di-tert-butyl(2′,4′,6′-triisopropylbiphenyl-2-yl)phosphine (60 mg, 0.2 mmol), NaOtBu (144 mg, 1.5 mmol) and THF (3 mL). After the reaction tube was degassed and filled with N2, the tube was heated to 120° C. in a microwave reactor for 40 min. The mixture was then poured into saturated NH4Cl aqueous solution (10 mL) and extracted with EtOAc (3×10 mL). The organic layers were combined and concentrated. The residue was purified by flash column chromatography (silica gel, gradient MeOH/CH2Cl2, 0˜10%) to provide 2-fluoro-4-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)aniline as a white solid. ESMS m/z 278.1 (M+H+).

Aufarbeitung

  1. customTo a microwave reaction tube
  2. customAfter the reaction tube was degassed
  3. additionfilled with N2
  4. additionThe mixture was then poured into saturated NH4Cl aqueous solution (10 mL)
  5. extractionextracted with EtOAc (3×10 mL)
  6. concentrationconcentrated
  7. customThe residue was purified by flash column chromatography (silica gel, gradient MeOH/CH2Cl2, 0˜10%)

Quellen und Nachweise

ORD-Eintrag
ord-a88f0a42c7d64b8a87cd433d9479196c
Quelldatensatz
uspto-grants-2014_10
DOI
10.6084/m9.figshare.5104873.v1
Patentnummer
US08859574B2

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