ホームMCPワークベンチSkills
ホームワークベンチ通知マイページ
llms.txt · MCPガイドプライバシーポリシー · 利用規約 · サポートv1.8.0
  1. ホーム
  2. /反応

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

HRID 255
ノート
印刷プレビュー

反応式

HRID 255 の反応式
COc1cc(N)ccc1-n1cnc(C)c1.N#CCN1Cc2ccc(Cl)nc2O[C@H](c2ccccc2)C1>CC(=O)O.CC(=O)O.COCCOC.O=C([O-])[O-].[Cs+].[Cs+].[Pd].c1ccc(-c2ccccc2P(C2CCCCC2)C2CCCCC2)cc1>COc1cc(Nc2ccc3c(n2)O[C@H](c2ccccc2)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 178418223HCID 178418223、化合物

生成物 1

HCID 49819369(R)-2-(8-(3-Methoxy-4-(4-methyl-1H-imidazol-1-yl)phenylamino)-2-phenyl-2,3-dihydropyrido[3,2-f][1,4]oxazepin-4(5H)-yl)acetonitrile収率 7.81%

試薬・触媒・溶媒 4

HCID 10796Cesium carbonate試薬
HCID 2734216
2-(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 (195 mg, 0.96 mmol), (R)-2-(8-chloro-2-phenyl-2,3-dihydropyrido[3,2-f][1,4]oxazepin-4(5H)-yl)acetonitrile (288 mg, 0.96 mmol) Palladium acetate (21.55 mg, 0.10 mmol) and Cesium carbonate (938 mg, 2.88 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. Only after two additional additions of catalyst and ligand with 3h extra runtime was the 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 3 times yielding (R)-2-(8-(3-methoxy-4-(4-methyl-1H-imidazol-1-yl)phenylamino)-2-phenyl-2,3-dihydropyrido[3,2-f][1,4]oxazepin-4(5H)-yl)acetonitrile (35.0 mg, 7.81 %).

出典と根拠

ORDレコード
ord-64de42ce56244836b512746d4c6a3fee
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

読み込み中…

このページの内容参加物反応条件実験手順出典と根拠反応ノート