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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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8-amino-2-methyl-3,4-dihydroisoquinolin-1(2H)-one → 8-[(2,5-Dichloropyridin-4-yl)amino]-2-methyl-3,4-dihydroisoquinolin-1-one

HRID 25
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HRID 25 반응식
CN1CCc2cccc(N)c2C1=O.Clc1cc(I)c(Cl)cn1>C1COCCO1.CC(=O)O.CC(=O)O.CC1(C)c2cccc(P(c3ccccc3)c3ccccc3)c2Oc2c(P(c3ccccc3)c3ccccc3)cccc21.O=C([O-])[O-].[Cs+].[Cs+].[Pd]>CN1CCc2cccc(Nc3cc(Cl)ncc3Cl)c2C1=O
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참가 물질

7

반응물 2

HCID 162026268-amino-2-methyl-3,4-dihydroisoquinolin-1(2H)-oneHCID 534009652,5-Dichloro-4-iodopyridine

생성물 1

HCID 866551378-[(2,5-Dichloropyridin-4-yl)amino]-2-methyl-3,4-dihydroisoquinolin-1-one수율 59.55%

시약·촉매·용매 4

HCID 10796Cesium carbonate시약HCID 6360441,1'-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis(1,1-diphenylphosphine)
촉매
HCID 4144353Palladium (II) acetate촉매
HCID 312751,4-Dioxane용매

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온도
100 °C

실험 절차

diacetoxypalladium (0.573 g, 2.55 mmol) was added to a stirred suspension of 2,5-dichloro-4-iodopyridine (13.99 g, 51.07 mmol), 8-amino-2-methyl-3,4-dihydroisoquinolin-1(2H)-one (9 g, 51.07 mmol), (9,9-dimethyl-9H-xanthene-4,5-diyl)bis(diphenylphosphine) (2.96 g, 5.11 mmol) and cesium carbonate (24.96 g, 76.61 mmol) dissolved in 1,4-dioxane (300 mL). The resulting suspension was degassed (3 times) with nitrogen and was stirred at 100°C for 16 hours. The reaction mixture was allowed to cool to room temperature, diluted with DCM (100 mL) and filtered. The residue was washed with DCM. The filtrates was combined and evaporated to dryness. The crude product was purified by flash chromatography on silica gel eluting with 0 to 10% ethyl acetate in dichloromethane. The solvent was evaporated to dryness to afford 8-(2,5-dichloropyridin-4-ylamino)-2-methyl-3,4-dihydroisoquinolin-1(2H)-one (9.80 g, 59.6 %) as a clear white solid.

출처 및 근거

ORD 기록
ord-d1c742201cbe4cf0aa1fbc6e2537aa34
출처 데이터셋
750 AstraZeneca ELN dataset
원본 링크
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