StartseiteMCPWorkbenchSkills
StartseiteWorkbenchBenachrichtigungenMein Bereich
llms.txt · MCP-AnleitungDatenschutz · Nutzungsbedingungen · Supportv1.8.0
  1. Startseite
  2. /Reaktion

4-(3-Methoxyphenoxy)piperidine hydrochloride → 6-[4-(3-Methoxyphenoxy)piperidin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine

HRID 131
Notizen
Druckvorschau

Reaktionsgleichung

Reaktionsgleichung von HRID 131
COc1cccc(OC2CCNCC2)c1.Cl.FC(F)(F)c1nnc2ccc(Br)cn12>CC(C)(C)[O-].Cc1ccc(C)cc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.[Na+].[Pd].c1ccc(P(c2ccccc2)c2ccc3ccccc3c2-c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)cc1>COc1cccc(OC2CCN(c3ccc4nnc(C(F)(F)F)n4c3)CC2)c1
KomponentenReaktionsbedingungenVersuchsvorschriftQuellen und NachweiseNotizen zur Reaktion

Komponenten

7

Edukt 2

HCID 177497954-(3-Methoxyphenoxy)piperidine hydrochlorideHCID 581189066-Bromo-3-(trifluoromethyl)-(1,2,4)triazolo(4,3-a)pyridine

Produkt 1

HCID 591496836-[4-(3-Methoxyphenoxy)piperidin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridineAusbeute 30,51 %

Reagenzien, Katalysatoren, Lösungsmittel 4

HCID 23676156Sodium t-butoxideReagenz
HCID 634876
Binap, (A+-)-
Katalysator
HCID 6505921(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one; palladiumKatalysator
HCID 7809P-XyleneLösungsmittel

Reaktionsbedingungen

Temperatur
100 °C

Versuchsvorschrift

6-bromo-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine (100 mg, 0.38 mmol), 4-(3-methoxyphenoxy)piperidine hydrochloride (110 mg, 0.45 mmol), rac-2,2'-Bis(diphenylphosphino)-1,1'-binaphthyl (17.56 mg, 0.03 mmol) and Sodium tert-butoxide (0.161 mL, 1.32 mmol) were suspended in xylenes (5 mL), then de-gassed and purged with nitrogen. Bis(dibenzylideneacetone)palladium (10.81 mg, 0.02 mmol) was added, and the mixture was sealed into a microwave tube. The reaction was heated to 100 °C for 20 minutes in the microwave reactor and cooled to RT. The reaction mixture was diluted with EtOAc (25 mL), and washed with water (25 mL). The organic layer was purified by ion exchange chromatography, using an SCX column. The desired product was eluted from the column using 7M NH3/MeOH and pure fractions were evaporated to dryness to afford crude product. The crude product was purified by preparative HPLC (Waters XBridge Prep C18 OBD column, 5µ silica, 19 mm diameter, 100 mm length), using decreasingly polar mixtures of water (containing 1% NH3) and MeCN as eluents. Fractions containing the desired compound were evaporated to dryness to afford 6-(4-(3-methoxyphenoxy)piperidin-1-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine (45.0 mg, 30.5 %) as a white solid.

Quellen und Nachweise

ORD-Eintrag
ord-65b9230d98a54611a7b2ba04f46f98c7
Quelldatensatz
750 AstraZeneca ELN dataset
Originallink
Quelle ansehen

Notizen zur Reaktion

Wird geladen…

Auf dieser SeiteKomponentenReaktionsbedingungenVersuchsvorschriftQuellen und NachweiseNotizen zur Reaktion