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
Participants
| Role | Name | HCID | Charge |
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| Reactant | Toluene | HCID 1140 | — |
| Reactant | 2,4-Dichlorobenzyl isocyanate | HCID 4612708 | — |
| Reactant | Methyl 5-aminoisoquinoline-3-carboxylate | HCID 22032628 | — |
| Solvent | Tetrahydrofuran | HCID 8028 | — |
| Product | Methyl 5-({[(2,4-dichlorobenzyl)amino]carbonyl}amino)isoquinoline-3-carboxylate | HCID 10250615 | 73% |
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
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US08247413B2 |
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| Source dataset | uspto-grants-2012_08 |
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| ORD ID | ord-587378363c0241459773e2e30bdf5486 |
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| Source note | uspto-grants-2012_08 |
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