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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 887204Generated: October 25, 2026

Toluene → Methyl 5-({[(2,4-dichlorobenzyl)amino]carbonyl}amino)isoquinoline-3-carboxylate

https://huagongshe.com/reaction/887204

Reaction equation

Participants

RoleNameHCIDCharge
ReactantTolueneHCID 1140—
Reactant2,4-Dichlorobenzyl isocyanateHCID 4612708—
ReactantMethyl 5-aminoisoquinoline-3-carboxylateHCID 22032628—
SolventTetrahydrofuranHCID 8028—
ProductMethyl 5-({[(2,4-dichlorobenzyl)amino]carbonyl}amino)isoquinoline-3-carboxylateHCID 1025061573%

Reaction Steps

The product of Example 71B (0.156 g, 0.77 mmol) in THF:toluene (10 mL, 1:1) was treated with a solution of 2,4-dichloro-1-(isocyanatomethyl)benzene (0.195 g, 0.97 mmol) in THF (1.0 mL). After stirring for 16 hours at room temperature, the reaction mixture was concentrated under reduced pressure and the residue was triturated with diethyl ether to provide the title compound as a tan solid (0.226 g, 73%). MS (ESI+) m/z 404 (M+H)+; MS (ESI−) m/z 402 (M−H)−; 1H NMR (DMSO-d6, 300 MHz) δ 3.96 (s, 3H), 4.44 (d, J 6.0, 2H), 7.29 (m, 1H), 7.48 (m, 1H), 7.65 (d, J 1.7, 1H), 7.76 (t, J 7.8, 1H), 7.86 (d, J 7.8, 1H), 8.41 (dd, J 1.0, 7.8, 1H), 8.84 (s, 1H), 9.15 (s, 1H), 9.35 (s, 1H); Anal. Calcd for C19H15Cl2N3O3: C, 56.45; H, 3.74; N, 10.39. Found: C, 56.08; H, 3.67; N, 10.03.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08247413B2
Source datasetuspto-grants-2012_08
ORD IDord-587378363c0241459773e2e30bdf5486
Source noteuspto-grants-2012_08