Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | Acetic Acid | HCID 176 | — |
| Reactant | Pyridine | HCID 1049 | — |
| Reactant | HCID 178526523 | HCID 178526523 | — |
| Solvent | Acetic Anhydride | HCID 7918 | — |
| Product | HCID 22337641 | HCID 22337641 | — |
Reaction Steps
5-Nitro-3-isoquinolinol (3.40 g, 17.9 mmol) in acetic anhydride (40 mL) was treated with acetic acid (5 mL) and pyridine (5 mL) and heated at 120° C. for 2 hours. The mixture was cooled to room temperature and concentrated under reduced pressure to provide the title compound which was used in the next step without further purification. MS (ESI+) m/z 233 (M+H)+; MS (ESI−) m/z 231 (M−H)−; 1H NMR (DMSO, 300 MHz) isomers δ 2.39 (s, 3H), 7.88 (m, 1H), 8.27 (m, 1H), 8.50 (m, 1H), 8.65, 8.74 (d, J 7.8, 1H), 9.47, 9.55 (s, 1H).
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-19c4073004094b2f8caeea625ba836f7 |
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| Source note | uspto-grants-2012_08 |
|---|