HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 16749548, compound → HCID 16749115, compound
Participants
| Role | Name | HCID | Charge |
|---|---|---|---|
| Reactant | HCID 16749548 | HCID 16749548 | — |
| Catalyst | Palladium | HCID 23938 | — |
| Solvent | Ethanol | HCID 702 | — |
| Solvent | Tetrahydrofuran | HCID 8028 | — |
| Product | HCID 16749115 | HCID 16749115 | — |
Reaction Steps
Palladium on charcoal (100 mg, 5% Pd) was added to a solution of 4-[(4-benzyloxy-3-chloro-5-methoxy-benzyl)-[1,2,4]triazol-4-yl-amino]-benzonitrile (CAB02177, 1.34 g, 3.0 mmol) in ethanol (60 mL) and THF (40 mL). The mixture was stirred under hydrogen atmosphere (balloon) for 24 h (TLC monitored), then filtered through celite and concentrated under reduced pressure. The residue was dried under high vacuum. Yield: 1.06 g (99%), white powder. 1H-NMR (400 MHz, d6-DMSO) δ=3.77 (s, 3H, —OCH3), 4.92 (s, 2H), 6.79 (d, J=9.0 Hz, 2H), 6.81 (d, J=1.8 Hz, 1H), 6.85 (d, J=1.8 Hz, 1H), 7.77 (d, J=9.0 Hz, 2H), 8.79 (s, 2H), 9.49 (s, 1H, —OH). LRMS (FAB+): 356.0 (100, [M+H]+). HRMS (FAB+): 356.09234 C17H15N15O2Cl requires 356.091428.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
|---|---|
| Patent number | US07361677B2 |
| Source dataset | uspto-grants-2008_04 |
| ORD ID | ord-39bafbbd0336452388bd5c9a1fe57dd9 |
| Source note | uspto-grants-2008_04 |