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HRID 631598作成日:2026年10月25日

Water → 1-(5-Tert-butylisoxazol-3-yl)-3-(5-(6,7-dimethoxyquinazolin-4-yloxy)-2,4-difluorophenyl)urea

https://huagongshe.com/reaction/631598

反応式

関与物質

役割名称HCID仕込み量
反応物WaterHCID 962—
反応物DiisopropylethylamineHCID 81531—
反応物Phenyl 5-tert-butylisoxazol-3-ylcarbamateHCID 13489605—
反応物5-(6,7-Dimethoxyquinazolin-4-yloxy)-2,4-difluoroanilineHCID 66876754—
触媒4-(Dimethylamino)pyridineHCID 14284—
溶媒TetrahydrofuranHCID 8028—
生成物1-(5-Tert-butylisoxazol-3-yl)-3-(5-(6,7-dimethoxyquinazolin-4-yloxy)-2,4-difluorophenyl)ureaHCID 5666524825.1%

反応条件

温度70 °C

反応手順

To a solution of 5-(6,7-dimethoxyquinazolin-4-yloxy)-2,4-difluoroaniline (100 mg, 0.3 mmol) in THF (10 mL), DIEA (58 mg, 0.45 mmol), DMAP (20 mg, 0.16 mmol), and phenyl 5-tert-butylisoxazol-3-ylcarbamate (117 mg, 0.32 mmol) were added and the mixture heated overnight at 70° C. The mixture was poured into water and extracted with EtOAc three times. The extracts were dried over magnesium sulfate, filtered, and concentrated. The residue was purified using silica gel chromatography eluting with EtOAc/Hexane (3-80%). The appropriate fractions were concentrated to afford 1-(5-tert-butylisoxazol-3-yl)-3-(5-(6,7-dimethoxyquinazolin-4-yloxy)-2,4-difluorophenyl)urea (37.56 mg, 25% yield). 1H NMR (300 MHz, CDCl3) δ 1.35 (s, 9H), 4.05 (s, 6H), 6.09 (s, 1H), 6.85 (s, 1H), 7.28 (s, 1H), 7.35 (s, 1H), 8.28 (m, 1H), 8.70 (s, 1H), 9.50 (s, 1H). LC-MS (ESI) m/z 500 (M+H)+

情報源と証拠

DOI10.6084/m9.figshare.5104873.v1
特許番号US09320739B2
出典データセットuspto-grants-2016_04
ORD IDord-236afe88de4a453f8b0ac5bbded6c4f1
出典メモuspto-grants-2016_04