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HRID 2056886作成日:2026年10月26日

4-Bromobenzyl isocyanate → N-(4-bromobenzyl)-N'-(1,3-dimethyl-5-isoquinolinyl)urea

https://huagongshe.com/reaction/2056886

反応式

関与物質

役割名称HCID仕込み量
反応物4-Bromobenzyl isocyanateHCID 4374617—
反応物1,3-Dimethylisoquinolin-5-amineHCID 22337624—
溶媒TolueneHCID 1140—
生成物N-(4-bromobenzyl)-N'-(1,3-dimethyl-5-isoquinolinyl)ureaHCID 11740716—

反応条件

温度87.5 °C

反応手順

The product from Example 178A(375 mg, 2.2 mmol) in toluene (7 mL) was treated with 1-bromo-4-(isocyanatomethyl)benzene (0.31 mL, 2.2 mmol). After stirring at 85-90° C. for 3 hours, the mixture was cooled to room temperature and filtered. The filter cake was treated with methanolic HCl to provide the title compound as the hydrochloride salt. 1H NMR (300 MHz, DMSO-d6) δ 8.62 (s, 1H), 8.17 (d, 1H, J=7.8 Hz), 7.80 (d, 1H, J=8.5 Hz), 7.45-7.60 (m, 4H), 7.32 (d, 2H, J=8.1 Hz), 7.06 (t, 1H, 5.7 Hz), 4.34 (d, 2H, 5.8 Hz), 2.84 (s, 3H), 2.75 (s, 3H); MS (ESI+) m/z 383/385 (M+H, 79Br/81Br).

情報源と証拠

DOI10.6084/m9.figshare.5104873.v1
特許番号US07335678B2
出典データセットuspto-grants-2008_02
ORD IDord-a74fa34e5dc84ab780a9201881262148
出典メモuspto-grants-2008_02