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2-Acetylamino-4-aminotoluene → N-[5-[[3-cyano-7-(oxetan-3-ylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-methylphenyl]acetamide

HRID 728
Notizen
Druckvorschau

Reaktionsgleichung

Reaktionsgleichung von HRID 728
CC(=O)Nc1cc(N)ccc1C.N#Cc1cnn2c(NC3COC3)cc(Cl)nc12>CC(=O)N(C)C.CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)C(C)(C)C)c(C(C)C)c1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C([O-])[O-].[Cs+].[Cs+].[Pd].[Pd]>CC(=O)Nc1cc(Nc2cc(NC3COC3)n3ncc(C#N)c3n2)ccc1C
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Komponenten

7

Edukt 2

HCID 794922-Acetylamino-4-aminotolueneHCID 178418222HCID 178418222, Verbindung

Produkt 1

HCID 72164287N-[5-[[3-cyano-7-(oxetan-3-ylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-methylphenyl]acetamideAusbeute 16,54 %

Reagenzien, Katalysatoren, Lösungsmittel 4

HCID 10796Cesium carbonateReagenz
HCID 9811564
Bis(dibenzylideneacetone)palladium
Katalysator
HCID 11618717Di-tert-butyl(2',4',6'-tris(propan-2-yl)-(1,1'-biphenyl)-2-yl)phosphaneKatalysator
HCID 31374DimethylacetamideLösungsmittel

Reaktionsbedingungen

Temperatur
145 °C

Versuchsvorschrift

In a microwave tube, was Cs2CO3 (0.522 g, 1.60 mmol), N-(5-amino-2-methylphenyl)acetamide (0.132 g, 0.80 mmol), Pd2dba3 (0.037 g, 0.04 mmol),5-chloro-7-(oxetan-3-ylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile (0.200 g, 0.80 mmol),di-tert- butyl(2',4',6'-triisopropyl-[1,1'-biphenyl]-2-yl)phosphine (0.034 g, 0.08 mmol). anhydrous DMA (2.0 mL) was added. The resulting mixture was bubbled through N2. Then the tube was capped. under microwave 145C for 30min. This reaction was repeated at 150mg again. The two batches were combined to workup The mixture was concentrated to dryness. Water (20 mL) was added. it was extracted with 10% MeOH in EtOAc, The combined organic phases were dried over Na2SO4, filtered and concentrated to dryness. It was purified by chromatography )Hex to 50% etAOc in Hex to EtOAc to 5% MeOH in EtOAc) to collect the pure product to give the product (86mg, 16.5% from total 350mg SM 5-chloro-7-(oxetan-3-ylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile) which was washed with EtOAc and dried under a high vacuum at 60C for 16h as an offwhite solid

Quellen und Nachweise

ORD-Eintrag
ord-ee0c75ae423d4c13a290870b1caf79ed
Quelldatensatz
750 AstraZeneca ELN dataset
Originallink
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