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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
Notes
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Reaction equation

HRID 728 reaction equation
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
ParticipantsConditionsProcedureSources & evidenceReaction notes

Participants

7

Reactant 2

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

Product 1

HCID 72164287N-[5-[[3-cyano-7-(oxetan-3-ylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-methylphenyl]acetamideYield 16.54%

Reagents, catalysts & solvents 4

HCID 10796Cesium carbonateReagent
HCID 9811564
Bis(dibenzylideneacetone)palladium
Catalyst
HCID 11618717Di-tert-butyl(2',4',6'-tris(propan-2-yl)-(1,1'-biphenyl)-2-yl)phosphaneCatalyst
HCID 31374DimethylacetamideSolvent

Conditions

Temperature
145 °C

Procedure

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

Sources & evidence

ORD record
ord-ee0c75ae423d4c13a290870b1caf79ed
Source dataset
750 AstraZeneca ELN dataset
Original link
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Reaction notes

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