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1-Isopropyl-3-methyl-1H-pyrazol-5-amine → Gsk-2256098

HRID 171
ノート
印刷プレビュー

反応式

HRID 171 の反応式
CONC(=O)c1ccccc1Nc1cc(Cl)ncc1Cl.Cc1cc(N)n(C(C)C)n1>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]>CONC(=O)c1ccccc1Nc1cc(Nc2cc(C)nn2C(C)C)ncc1Cl
参加物反応条件実験手順出典と根拠反応ノート

参加物

7

反応物 2

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

生成物 1

HCID 46214930Gsk-2256098収率 57.77%

試薬・触媒・溶媒 4

HCID 10796Cesium carbonate試薬HCID 6360441,1'-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis(1,1-diphenylphosphine)触媒
HCID 4144353Palladium (II) acetate触媒
HCID 312751,4-Dioxane溶媒

反応条件

温度
100 °C

実験手順

To a stirred solution of 2-(2,5-dichloropyridin-4-ylamino)-N-methoxybenzamide (28 g, 89.70 mmol) in 1,4-dioxane (300 mL) were added 1-isopropyl-3-methyl-1H-pyrazol-5-amine (14.98 g, 107.64 mmol), cesium carbonate (43.8 g, 134.55 mmol), (9,9-dimethyl-9H-xanthene-4,5-diyl)bis(diphenylphosphine) (4.67 g, 8.07 mmol) and diacetoxypalladium (1.208 g, 5.38 mmol) Mixture was degassed 3 times with N2 and heated to reflux overnight: OK. Reaction was cooled down, then filtered, salts were washed with 500mL of a 90/10 solution of CH2Cl2/MeOH and the filtrate was concentrated. Residue was then dissolved in CH2Cl2/MeOH, adsorbed on silica and purified by chromatography, eluting with 7% of MeOH in CH2Cl2. Solvent were concentrated and the solid obtained was stirred in 300mL of AcOEt for 3h. product was filtered, washed with AcOEt and dried on vacuum at 50°C for the we. 1H NMR indicates the presence of 7% of AcOEt... Need to dissolve the product in EtOH, then concentrated to dryness and stirred with 500mL of water for 3h. Solid was filtered, washed with water and dried on vacuum overnight at 50°C to afford 2-(5-chloro-2-(1-isopropyl-3-methyl-1H-pyrazol-5-ylamino)pyridin-4-ylamino)-N-methoxybenzamide (21.50 g, 57.8 %) as a white powder. Purity-check OK.

出典と根拠

ORDレコード
ord-b46a6c49414741af865dab7a6fa19802
出典データセット
750 AstraZeneca ELN dataset
元リンク
出典を表示

反応ノート

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