HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 409199Generated: October 28, 2026
Dimethylformamide → 1-Cyano-4-hydroxy-8-phenoxy-isoquinoline-3-carboxylic acid methyl ester
https://huagongshe.com/reaction/409199
Participants
| Role | Name | HCID | Charge |
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| Reactant | Dimethylformamide | HCID 6228 | — |
| Reactant | Chloroform isopropyl alcohol | HCID 21906603 | — |
| Reactant | 1-Bromo-4-hydroxy-8-phenoxy-isoquinoline-3-carboxylic acid methyl ester | HCID 86617062 | — |
| Reactant | HCID 178418546 | HCID 178418546 | — |
| Solvent | Water | HCID 962 | — |
| Product | 1-Cyano-4-hydroxy-8-phenoxy-isoquinoline-3-carboxylic acid methyl ester | HCID 67110107 | 54.3% |
Reaction Steps
A mixture of 1-bromo-4-hydroxy-8-phenoxy-isoquinoline-3-carboxylic acid methyl ester (1.22 g, 3.3 mmol), copper(I) cyanide (585 mg, 6.6 mmol), and anhydrous dimethylformamide (16 mL) was refluxed for ten minutes before it was cooled to room temperature and diluted with water. To the resulting slurry was added a chloroform/isopropanol mixture (3:1, 150 mL). After stirring for 10 minutes the solid components were separated by filtration and discarded. The organic layer of the filtrate was washed with water, and brine before it was dried over anhydrous sodium sulfate and concentrated in vacuo. The residue was purified by flash column chromatography on silica gel with a gradient of methanol and dichloromethane to give the title compound as a white solid (574 mg): 1H NMR (CDCl3, 200 MHz): δ=12.26 (s, 1H), 8.15 (m, 1H), 7.71 (t, J=8.2 Hz, 1H), 7.38 (m, 2H), 7.17 (m, 4H), 4.12 (s, 3H).
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US08759373B2 |
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| Source dataset | uspto-grants-2014_06 |
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| ORD ID | ord-b18c7d89e05743038fe77b71061d73b2 |
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| Source note | uspto-grants-2014_06 |
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