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3-methoxy-4-(4-methyl-1H-imidazol-1-yl)aniline → 2-(2-(1,3-Dimethyl-1H-pyrazol-5-yl)-8-(3-methoxy-4-(4-methyl-1H-imidazol-1-yl)phenylamino)-2,3-dihydropyrido[3,2-f][1,4]oxazepin-4(5H)-yl)acetonitrile

HRID 252
ノート
印刷プレビュー

反応式

HRID 252 の反応式
COc1cc(N)ccc1-n1cnc(C)c1.Cc1cc(C2CN(CC#N)Cc3ccc(Cl)nc3O2)n(C)n1>CC(=O)O.CC(=O)O.COCCOC.O=C([O-])[O-].[Cs+].[Cs+].[Pd].c1ccc(-c2ccccc2P(C2CCCCC2)C2CCCCC2)cc1>COc1cc(Nc2ccc3c(n2)OC(c2cc(C)nn2C)CN(CC#N)C3)ccc1-n1cnc(C)c1
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 454801813-methoxy-4-(4-methyl-1H-imidazol-1-yl)anilineHCID 595778162-(8-chloro-2-(1,3-dimethyl-1H-pyrazol-5-yl)-2,3-dihydropyrido[3,2-f][1,4]oxazepin-4(5H)-yl)acetonitrile

生成物 1

HCID 498189412-(2-(1,3-Dimethyl-1H-pyrazol-5-yl)-8-(3-methoxy-4-(4-methyl-1H-imidazol-1-yl)phenylamino)-2,3-dihydropyrido[3,2-f][1,4]oxazepin-4(5H)-yl)acetonitrile収率 16.55%

試薬・触媒・溶媒 4

HCID 10796Cesium carbonate
試薬
HCID 27342162-(Dicyclohexylphosphino)biphenyl触媒
HCID 4144353Palladium (II) acetate触媒
HCID 80711,2-Dimethoxyethane溶媒

反応条件

温度
100 °C

実験手順

3-methoxy-4-(4-methyl-1H-imidazol-1-yl)aniline (0.068 g, 0.34 mmol),2-(8-chloro-2-(1,3-dimethyl-1H-pyrazol-5-yl)-2,3-dihydropyrido[3,2-f][1,4]oxazepin-4(5H)-yl)acetonitrile (0.107 g, 0.34 mmol) Palladium acetate (7.56 mg, 0.03 mmol) and Cesium carbonate (0.329 g, 1.01 mmol) were added in a microwave vial. The mixture was capped and flushed with argon.1,2-dimethoxyethane (5 mL) was added, the reaction mixture was flushed with argon and the mixture was run in a microwave for 60 minutes at 100°C. Reaction complete. The reaction mixture was filtrated through Celite and washed with dichloromethane. The filtrate was concentrated and the crude product was purified by preparative chromatography. The productcontaining fractions were pooled, concentrated and the residue was partitioned between sat. NaHCO3 (aq) and dichloromethane. The organic layer was separated by a Phase Separator and concentrated giving 2-(2-(1,3-dimethyl-1H-pyrazol-5-yl)-8-(3-methoxy-4-(4-methyl-1H-imidazol-1-yl)phenylamino)-2,3-dihydropyrido[3,2-f][1,4]oxazepin-4(5H)-yl)acetonitrile (0.027 g, 16.55 %).

出典と根拠

ORDレコード
ord-0ff30e2abe284325a98db1564fc934f7
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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