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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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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
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인쇄 미리보기

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HRID 711 반응식
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
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참가 물질

7

반응물 2

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

생성물 1

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

시약·촉매·용매 4

HCID 23676156Sodium t-butoxide시약HCID 9811564
Bis(dibenzylideneacetone)palladium
촉매
HCID 111557942-Dicyclohexylphosphino-2',4',6'-triisoprophylbiphenyl촉매
HCID 31374Dimethylacetamide용매

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온도
100 °C

실험 절차

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.

출처 및 근거

ORD 기록
ord-a0aa244ac0f34a23886d9e4b9c227fa6
출처 데이터셋
750 AstraZeneca ELN dataset
원본 링크
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