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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 2046258Generated: October 31, 2026

Hydrochloric Acid → HCID 54747359, compound

https://huagongshe.com/reaction/2046258

Reaction equation

Participants

RoleNameHCIDCharge
ReactantHydrochloric AcidHCID 313—
ReactantEthyl AcetateHCID 8857—
ReactantSodium hydrideHCID 24758—
ReactantBenzonitrile, 3-(bromomethyl)-HCID 97249—
ReactantHCID 68814917HCID 68814917—
SolventWaterHCID 962—
SolventDimethylformamideHCID 6228—
ProductHCID 54747359HCID 5474735952%

Reaction Steps

Ethyl 2-[(3-cyanophenyl)methyl]-5-hydroxy-6-(1-methylethyl)-3-oxo-2,3-dihydro-4-pyridazinecarboxylate. Sodium hydride (53 mg, 1.33 mmol) was added to a solution of the compound from example 14a) (120 mg, 0.53 mmol) in N,N-Dimethylformamide (DMF) (2.5 mL) at 0° C. The reaction was brought to room temperature and stirred for 30 minutes. The temperature was then reduced to 0° C. and α-bromo-m-tolunitrile (104 mg, 0.53 mmol) was added. The reaction was brought to room temperature and stirred for 3 h followed by the addition of 1N HCl. The solution was diluted with EtOAc and H2O and the layers separated. The aqueous layer was backextracted with EtOAc several times. The combined organic layers were washed with Brine, dried (MgSO4), filtered and concentrated. The product was purified by column chromatography (SiO2, 30-60% EtOAc/Hexanes) to give the title compound (95 mg, 52%). 1H NMR (400 MHz, DMSO-d6) δ ppm 12.35 (s, 1H) 7.78 (dt, J=6.88, 1.74 Hz, 1H) 7.72 (s, 1H) 7.52-7.63 (m, 2H) 5.20 (s, 2H) 4.27 (q, J=7.16 Hz, 2H) 3.16 (sept, J=6.82 Hz, 1H) 1.26 (t, J=7.07 Hz, 3H) 1.16 (d, J=6.82 Hz, 6H).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUSRE044613E1
Source datasetuspto-grants-2013_11
ORD IDord-cf8fda7184a64f429e5c32501108223d
Source noteuspto-grants-2013_11