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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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1-Isopropyl-3-methyl-1H-pyrazol-5-amine → Gsk-2256098

HRID 173
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HRID 173 반응식
CONC(=O)c1ccccc1Nc1cc(Cl)ncc1Cl.Cc1cc(N)n(C(C)C)n1>C1COCCO1.CC(=O)O.CC(=O)O.O=C([O-])[O-].[Cs+].[Cs+].[Pd].c1ccc(P(c2ccccc2)c2ccc3ccccc3c2-c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)cc1>CONC(=O)c1ccccc1Nc1cc(Nc2cc(C)nn2C(C)C)ncc1Cl
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참가 물질

7

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HCID 1210181-Isopropyl-3-methyl-1H-pyrazol-5-amineHCID 575168962-[(2,5-dichloro-4-pyridinyl)amino]-N-(methyloxy)benzamide

생성물 1

HCID 46214930Gsk-2256098수율 47.02%

시약·촉매·용매 4

HCID 10796Cesium carbonate시약HCID 634876Binap, (A+-)-촉매
HCID 4144353
Palladium (II) acetate
촉매
HCID 312751,4-Dioxane용매

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온도
100 °C

실험 절차

2-(2,5-dichloropyridin-4-ylamino)-N-methoxybenzamide (200 mg, 0.64 mmol), 1-isopropyl-3-methyl-1H-pyrazol-5-amine (178 mg, 1.28 mmol) and cesium carbonate (626 mg, 1.92 mmol) were suspended in 1,4-dioxane (3 mL). Nitrogen was bubbled through mixture for 10 minutes. 2,2'-bis(diphenylphosphino)-1,1'-binaphthyl (39.9 mg, 0.06 mmol) and diacetoxypalladium (7.19 mg, 0.03 mmol) were added and tube was sealed. Mixture was stirred at reflux overnight. Reaction was allowed to cool to room temperature, filtered, washed with CH2Cl2/MeOH (9/1, 10 mL) and concentrated to dryness. The crude product was purified by flash chromatography (dry loading) on silica gel eluting with 1 to 5% methanol in dichloromethane. The solvent was evaporated to dryness to afford 2-(5-chloro-2-(1-isopropyl-3-methyl-1H-pyrazol-5-ylamino)pyridin-4-ylamino)-N-methoxybenzamide (125 mg, 47.0 %) as a pink foam => _contaminated by a few BINAP or BINAP by- products_

출처 및 근거

ORD 기록
ord-4827dc1e98814e62bfa94e2e91e1efd1
출처 데이터셋
750 AstraZeneca ELN dataset
원본 링크
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