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Hydrochloric Acid → 4-[4-(1-aminoethyl)-3-methylphenyl]tetrahydro-2H-thiopyran-4-carbonitrile

HRID 603120
Notizen
Druckvorschau

Reaktionsgleichung

Reaktionsgleichung von HRID 603120
[C:1]([C:3]1[CH:8]=[CH:7][C:6]([C:9]2([C:15]#[N:16])[CH2:14][CH2:13][S:12][CH2:11][CH2:10]2)=[CH:5][C:4]=1[CH3:17])#[N:2].[CH3:18][Li].[BH4-].[Na+].Cl>C1COCC1.CCOCC>[NH2:2][CH:1]([C:3]1[CH:8]=[CH:7][C:6]([C:9]2([C:15]#[N:16])[CH2:10][CH2:11][S:12][CH2:13][CH2:14]2)=[CH:5][C:4]=1[CH3:17])[CH3:18]
KomponentenReaktionsbedingungenVersuchsvorschriftAufarbeitungQuellen und NachweiseNotizen zur Reaktion

Komponenten

7

Edukt 4

HCID 313Hydrochloric AcidHCID 4311764Sodium borohydrideHCID 582984424-(4-Cyano-3-methylphenyl)tetrahydro-2H-thiopyran-4-carbonitrileHCID 178418348HCID 178418348, Verbindung

Produkt 1

HCID 582984404-[4-(1-aminoethyl)-3-methylphenyl]tetrahydro-2H-thiopyran-4-carbonitrile

Reagenzien, Katalysatoren, Lösungsmittel 2

HCID 3283
Diethyl Ether
Lösungsmittel
HCID 8028TetrahydrofuranLösungsmittel

Reaktionsbedingungen

Temperatur
-20 °C

Versuchsvorschrift

4-(4-Cyano-3-methylphenyl)tetrahydro-2H-thiopyran-4-carbonitrile (983 mg, 4.06 mmol) is stirred in THF (40.0 mL) at −78° C. under nitrogen as a 1.6 M solution of methyllithium in Et2O is added slowly via syringe to the vessel. The contents are stirred for 3 hours at −20° C. before being quenched with MeOH (40.0 mL) and warmed to room temperature. NaBH4 (460 mg, 12.2 mmol) is slowly added at 0° C. in an ice bath and the mixture is warmed to room temperature and stirred for 16 hours. 1.0 N aqueous HCl is added until a pH of 3.0 is reached and the solvent is removed by rotary evaporator. To the residue is added concentrated aqueous HCl (3.0 mL) and the mixture is stirred for 16 hours. The contents are neutralized with 1.0 M aqueous NaOH and EtOAc (40.0 mL) is added. The layers are separated and the organic is dried with Na2SO4 and concentrated to a residue that is purified by silica get column chromatography (10% MeOH in DCM) (253 mg, 1.05 mmol, 26%).

Aufarbeitung

  1. additionis added slowly via syringe to the vessel
  2. custombefore being quenched with MeOH (40.0 mL)
  3. temperaturewarmed to room temperature
  4. temperaturethe mixture is warmed to room temperature
  5. stirringstirred for 16 hours
  6. customthe solvent is removed by rotary evaporator
  7. additionTo the residue is added concentrated aqueous HCl (3.0 mL)
  8. stirringthe mixture is stirred for 16 hours
  9. additionis added
  10. customThe layers are separated
  11. dry with materialthe organic is dried with Na2SO4
  12. concentrationconcentrated to a residue that
  13. customis purified by silica
  14. customget column chromatography (10% MeOH in DCM) (253 mg, 1.05 mmol, 26%)

Quellen und Nachweise

ORD-Eintrag
ord-f236631f9eb449b4bca68e7dc5535e31
Quelldatensatz
uspto-grants-2011_03
DOI
10.6084/m9.figshare.5104873.v1
Patentnummer
US07906654B2

Notizen zur Reaktion

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