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HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HRID 585999Erstellt: 26. Oktober 2026

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

https://huagongshe.com/reaction/585999

Reaktionsgleichung

Beteiligte Stoffe

RolleNameHCIDEinwaage
Edukt4-Bromobenzyl isocyanateHCID 4374617—
Edukt1,3-Dimethylisoquinolin-5-amineHCID 22337624—
LösungsmittelTolueneHCID 1140—
ProduktN-(4-bromobenzyl)-N'-(1,3-dimethyl-5-isoquinolinyl)ureaHCID 11740716—

Reaktionsbedingungen

Temperatur87.5 °C

Reaktionsschritte

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).

Herkunft & Nachweise

DOI10.6084/m9.figshare.5104873.v1
PatentnummerUS06933311B2
Quelldatensatzuspto-grants-2005_08
ORD IDord-db9150ea86aa433e8c1de95b85530479
Quellennotizuspto-grants-2005_08