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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 2056872Generated: October 30, 2026

5-Isocyanatoisoquinoline → N-[4-(1-azepanyl)benzyl]-N'-(3-methyl-5-isoquinolinyl)urea

https://huagongshe.com/reaction/2056872

Reaction equation

Participants

RoleNameHCIDCharge
Reactant5-IsocyanatoisoquinolineHCID 11586357—
Reactant5-Isocyanato-3-methylisoquinolineHCID 22228382—
Reactant[4-(Azepan-1-YL)phenyl]methanamineHCID 22337561—
ProductN-[4-(1-azepanyl)benzyl]-N'-(3-methyl-5-isoquinolinyl)ureaHCID 9977590—

Reaction Steps

The title compound was prepared using the procedure described in Example 61B using 4-(1-azepanyl)benzylamine and the product from Example 154A instead of 4-cyanobenzyl alcohol and the product from Example 61A. 1H NMR (300 MHz, DMSO-d6) δ 9.16 (s, 1H), 8.53 (s, 1H), 8.28 (d, 1H, J=8 Hz), 7.74 (s, 1H), 7.67 (d, 1H, J=8 Hz), 7.50 (t, 1H, J=8 Hz), 7.14 (d, 2H, J=9 Hz), 6.84 (t, 1H, J=6 Hz), 6.66 (d, 2H, J=9 Hz), 4.20 (d, 2H, J=6 Hz), 3.44 (m, 4H), 2.63 (s, 3H), 1.71 (m, 4H), 1.45 (m, 4H). MS (ESI) 389 (M+H)+; Anal. Calcd for C24H28N4O.0.3H2O: C, 73.18; H, 7.32; N, 14.22. Found: C, 73.08; H, 7.38; N, 14.22.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS07335678B2
Source datasetuspto-grants-2008_02
ORD IDord-990ff67c6bca42dea852ffe2256ae535
Source noteuspto-grants-2008_02