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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 2174887Generated: October 26, 2026

Sodium Acetate → HCID 50942140, compound

https://huagongshe.com/reaction/2174887

Reaction equation

Participants

RoleNameHCIDCharge
ReactantSodium AcetateHCID 517045—
ReactantEthyl 3-bromoisonicotinateHCID 15141565—
Reactant2-Amino-4-cyanobenzeneboronic acid hydrochlorideHCID 44118766—
CatalystBis(cyclopenta-1,4-dien-1-yl(diphenyl)phosphane);dichloropalladium;iron(2+)HCID 178418228—
SolventWaterHCID 962—
ProductHCID 50942140HCID 5094214078.4%

Reaction Conditions

Temperature120 °C

Reaction Steps

Sodium acetate (410 mg, 5 mmol) and 1,1′-bis(diphenylphosphino)ferrocene palladium (II) chloride (complexed with dichloromethane) (36 mg, 0.05 mmol) were added to a mixture of ethyl 3-bromo-4-pyridine carboxylate (230 mg, 1.0 mmol) and 2-amino-4-cyanophenylboronic acid hydrochloric acid salt (179 mg, 0.9 mmol). The mixture was connected to an exit bubbler and heated to 120° C. for 18 hours at which time LCMS analysis indicated that the reaction was done based on the disappearance of starting material. After cooling to room temperature, water was added and the dark solids were filtered and washed with dichloromethane to give 5-oxo-5,6-dihydrobenzo[c][2,6]naphthyridine-8-carbonitrile (156 mg) as a gray solid which was sufficiently pure enough for subsequent chemical transformations. LCMS (ESI) 222.4 (M+1)+. 1HNMR (400 MHz, DMSO-d6) 12.2 (1H, s), 9.96 (1H, s), 8.90 (1H, d, 5.1 Hz), 8.77 (1H, d, 8.2 Hz), 8.13 (1H, d, 5.1 Hz), 7.73 (1H, dd 8.2, 1.6 Hz), 7.70 (1H, d, 1.6 Hz).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS09062043B2
Source datasetuspto-grants-2015_06
ORD IDord-f4978b4b53a643f1bd7077298a3ccfd2
Source noteuspto-grants-2015_06