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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 706262Generated: October 29, 2026

Dimethylacetamide → 7-Benzyloxy-1-cyano-4-hydroxy-isoquinoline-3-carboxylic acid ethyl ester

https://huagongshe.com/reaction/706262

Reaction equation

Participants

RoleNameHCIDCharge
ReactantDimethylacetamideHCID 31374—
Reactant7-Benzyloxy-1-bromo-4-hydroxy-isoquinoline-3-carboxylic acid ethyl esterHCID 86617088—
CatalystZinc cyanide (Zn(CN)2)HCID 11186—
CatalystZincHCID 23994—
CatalystFerrocene-1,1'-bis-(diphenylphosphine)HCID 635956—
CatalystBis(dibenzylideneacetone)palladiumHCID 9811564—
SolventEthyl AcetateHCID 8857—
SolventAmmonium ChlorideHCID 25517—
Product7-Benzyloxy-1-cyano-4-hydroxy-isoquinoline-3-carboxylic acid ethyl esterHCID 67110229—

Reaction Steps

7-Benzyloxy-1-cyano-4-hydroxy-isoquinoline-3-carboxylic acid ethyl ester was prepared by heating a mixture of 1.76 g (4.4 mmol) of 7-benzyloxy-1-bromo-4-hydroxy-isoquinoline-3-carboxylic acid ethyl ester, 201 mg (0.2.0 mmol) tris(dibenzylideneacetone)dipalladium(0), 243 mg (0.44 mmol) 1,1′-bis(diphenylphosphino) ferrocene, 34 mg (0.53 mmol) zinc dust, 309 mg (2.64 mmol) zinc cyanide, and 9.0 mL of N,N-dimethylacetamide at 115 deg C. for 3 hours. The resultant mixture was diluted with ethyl acetate and saturated aqueous ammonium chloride and filtered through a celite pad. The organic fraction was washed with saturated ammonium chloride, water, brine, dried over anhydrous sodium sulfate, and concentrated in vacuo. The residue was purified by flash chromatography, eluting from silica gel with a 10 to 90 percent gradient of ethyl acetate in hexanes to give 1.18 g of the title compound; MS (ESI+): 349.3 e/z (M+1)

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS09174976B2
Source datasetuspto-grants-2015_11
ORD IDord-84879a3faf4f46948e8c82c74feff577
Source noteuspto-grants-2015_11