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4-(Methylsulfonyl)aniline → 4-(2,6-Dimethylpyridin-3-yloxy)-N-(4-(methylsulfonyl)phenyl)pyridin-2-amine

HRID 468
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HRID 468 반응식
CS(=O)(=O)c1ccc(N)cc1.Cc1ccc(Oc2ccnc(Cl)c2)c(C)n1>CC(=O)N(C)C.CC(=O)O.CC(=O)O.CC1(C)c2cccc(P(c3ccccc3)c3ccccc3)c2Oc2c(P(c3ccccc3)c3ccccc3)cccc21.O=C([O-])[O-].[Cs+].[Cs+].[Pd]>Cc1ccc(Oc2ccnc(Nc3ccc(S(C)(=O)=O)cc3)c2)c(C)n1
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참가 물질

7

반응물 2

HCID 796174-(Methylsulfonyl)anilineHCID 445982003-(2-Chloropyridin-4-yl)oxy-2,6-dimethyl-pyridine

생성물 1

HCID 689428584-(2,6-Dimethylpyridin-3-yloxy)-N-(4-(methylsulfonyl)phenyl)pyridin-2-amine수율 50.82%

시약·촉매·용매 4

HCID 10796Cesium carbonate시약HCID 636044
1,1'-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis(1,1-diphenylphosphine)
촉매
HCID 4144353Palladium (II) acetate촉매
HCID 31374Dimethylacetamide용매

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온도
150 °C

실험 절차

In a 10 mL microwave reactor 3-(2-chloropyridin-4-yloxy)-2,6-dimethylpyridine (100 mg, 0.43 mmol) and 4-(methylsulfonyl)aniline (73.0 mg, 0.43 mmol) were dissolved in DMA (3 mL) to give a tan solution.To the resultant solution Cesium carbonate (0.068 mL, 0.85 mmol) was added and sparged with nitrogen for 1 minute. Then Palladium(II) acetate (6.70 mg, 0.03 mmol) and 9,9-Dimethyl-4,5-bis(diphenylphosphino)xanthene (29.6 mg, 0.05 mmol) were added and the reaction mixture was sealed. The reaction was heated to150 °C for 25 minutes in the biotage microwave.The reaction was cooled to room temperature and LCMS shows reaction was completed. Reaction mixture was filtered through Celite Bed and washed with Dichloromethane. Filtrate was subjected to concentration to get DMA solution which was given to analytical department to purify using Mass based HPLC. After purification compound was isolated to get pale yellow solid of 4-(2,6-dimethylpyridin-3-yloxy)-N-(4-(methylsulfonyl)phenyl)pyridin-2-amine (80 mg, 50.8 %)

출처 및 근거

ORD 기록
ord-0a36562a530a4f6bb99c0bf4c44fc018
출처 데이터셋
750 AstraZeneca ELN dataset
원본 링크
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