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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 887211Generated: October 26, 2026

5-Aminoisoquinoline → N-[1-(4-chlorophenyl)-1-methylethyl]-N'-5-isoquinolinylurea

https://huagongshe.com/reaction/887211

Reaction equation

Participants

RoleNameHCIDCharge
Reactant5-AminoisoquinolineHCID 70766—
Reactant1-Chloro-4-(2-isocyanatopropan-2-yl)benzeneHCID 13118323—
SolventTetrahydrofuranHCID 8028—
ProductN-[1-(4-chlorophenyl)-1-methylethyl]-N'-5-isoquinolinylureaHCID 1040496034%

Reaction Steps

The title compound was prepared using 5-aminoisoquinoline, the product of Example 76B and the procedure described in Example 73B except that THF was used as solvent. The product was recrystallized from ethyl acetate to provide the title compound as a white solid (840 mg, 34%). MS (ESI+) m/z 355 (M+H)+; MS (ESI−) m/z 353 (M−H)−; 1H NMR (DMSO-d6, 300 MHz) δ 1.63 (s, 6H), 7.23 (s, 1H), 7.37 (d, J 8.8, 2H), 7.47 (d, J 8.8, 2H), 7.73 (t, J 9.2, 1H), 7.93 (d, J 8.1, 1H), 8.25 (d, J 6.4, 1H), 8.39 (d, J 8.1, 1H), 8.67 (d, J 6.4, 1H), 8.87 (s, 1H), 9.58 (s, 1H); Anal. Calcd for C19H18ClN3O HCl 0.25EtOH: C, 60.40; H, 5.33; N, 10.54. Found: C, 60.82; H, 5.23; N, 10.45.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08247413B2
Source datasetuspto-grants-2012_08
ORD IDord-dcaa1be967e54703bc01983d30d30517
Source noteuspto-grants-2012_08