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2-Acetylamino-4-aminotoluene → N-[5-({3-Cyano-7-[(1-Methyl-1h-Imidazol-4-Yl)amino]pyrazolo[1,5-A]pyrimidin-5-Yl}amino)-2-Methylphenyl]acetamide

HRID 711
Notes
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Reaction equation

HRID 711 reaction equation
CC(=O)Nc1cc(N)ccc1C.Cn1cnc(Nc2cc(Cl)nc3c(C#N)cnn23)c1>CC(=O)N(C)C.CC(C)(C)[O-].CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)C2CCCCC2)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.[Na+].[Pd].[Pd]>CC(=O)Nc1cc(Nc2cc(Nc3cn(C)cn3)n3ncc(C#N)c3n2)ccc1C
ParticipantsConditionsProcedureSources & evidenceReaction notes

Participants

7

Reactant 2

HCID 794922-Acetylamino-4-aminotolueneHCID 178418210HCID 178418210, compound

Product 1

HCID 72164045N-[5-({3-Cyano-7-[(1-Methyl-1h-Imidazol-4-Yl)amino]pyrazolo[1,5-A]pyrimidin-5-Yl}amino)-2-Methylphenyl]acetamideYield 12.78%

Reagents, catalysts & solvents 4

HCID 23676156Sodium t-butoxideReagent
HCID 9811564
Bis(dibenzylideneacetone)palladium
Catalyst
HCID 111557942-Dicyclohexylphosphino-2',4',6'-triisoprophylbiphenylCatalyst
HCID 31374DimethylacetamideSolvent

Conditions

Temperature
100 °C

Procedure

To a microwave vial containing N-(5-amino-2-methylphenyl)acetamide (0.096 g, 0.58 mmol), 5-chloro-7-(1-methyl-1H-imidazol-4-ylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile (0.08 g, 0.29 mmol), sodium tert-butoxide (0.093 g, 0.96 mmol) and 2-Dicyclohexylphosphino-2',4',6'-tri-iso-propyl-1,1'-biphenyl (0.014 g, 0.03 mmol) was added DMA (1.8 ml). Vial was flushed with argon and to it was added Pd2(dba)3 (0.013 g, 0.01 mmol) and the reaction was heated in a MW reactor at 100 C for 50 min . Reaction was filtered through celite and the filterate diluted with EtOAC (5 ml) and the organic solution was washed with minimum amt of brine( 1X 5 ml) and organic layer dried over Na2SO4 filtered and concentrated to give crude liquid. this was purified by flash column using 5-8% MeOH: DCM (1% NH4OH) as gradient to give N-(5-(3-cyano-7-(1-methyl-1H-imidazol-4-ylamino)pyrazolo[1,5-a]pyrimidin-5-ylamino)-2-methylphenyl)acetamide (0.015 g, 12.78 %) as desired product. nmr & MASS AGREE WITH THE STRUCTURE.

Sources & evidence

ORD record
ord-a0aa244ac0f34a23886d9e4b9c227fa6
Source dataset
750 AstraZeneca ELN dataset
Original link
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Reaction notes

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