HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 706194Generated: October 30, 2026
1-Methylpyrrolidine → 1-Cyano-4-hydroxy-7-(4-methoxy-phenoxy)-isoquinoline-3-carboxylic acid butyl ester
https://huagongshe.com/reaction/706194
Participants
| Role | Name | HCID | Charge |
|---|
| Reactant | 1-Methylpyrrolidine | HCID 8454 | — |
| Reactant | 1-Bromo-4-hydroxy-7-(4-methoxy-phenoxy)-isoquinoline-3-carboxylic acid butyl ester | HCID 86617076 | — |
| Reactant | HCID 178418546 | HCID 178418546 | — |
| Product | 1-Cyano-4-hydroxy-7-(4-methoxy-phenoxy)-isoquinoline-3-carboxylic acid butyl ester | HCID 67110447 | 76.5% |
Reaction Steps
A mixture of 1-bromo-4-hydroxy-7-(4-methoxy-phenoxy)-isoquinoline-3-carboxylic acid butyl ester (190 mg, 0.43 mmol), copper(I) cyanide (76.3 mg, 0.85 mmol) and N-methyl-pyrrolidine (3 mL) was heated at 130° C. for 1 h. After cooled, reaction mixture was partitioned between ethyl acetate and water. Organic layer was washed with brine, dried over magnesium sulfate, filtered, and concentrated. Crude product was purified by silica gel chromatography (eluting with 2%-25% ethyl acetate in methylene chloride) to give the title compound (129 mg). MS-(+)-ion: M+1=392.80.
Provenance & Evidence
| DOI | 10.6084/m9.figshare.5104873.v1 |
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| Patent number | US09174976B2 |
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| Source dataset | uspto-grants-2015_11 |
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| ORD ID | ord-7bc3e8412e4a4cc6bc85cea7c378a2a9 |
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| Source note | uspto-grants-2015_11 |
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