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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 2046280Generated: November 3, 2026

Hydrochloric Acid → HCID 54739214, compound

https://huagongshe.com/reaction/2046280

Reaction equation

Participants

RoleNameHCIDCharge
ReactantHydrochloric AcidHCID 313—
ReactantEthyl AcetateHCID 8857—
ReactantSodium hydrideHCID 24758—
Reactant2-(Bromomethyl)-1,3-benzothiazoleHCID 2776258—
ReactantHCID 68812129HCID 68812129—
SolventWaterHCID 962—
SolventDimethylformamideHCID 6228—
ProductHCID 54739214HCID 5473921431%

Reaction Steps

Ethyl 2-(1,3-benzothiazol-2-ylmethyl)-5-hydroxy-6-(1-methylethyl)-3-oxo-2,3-dihydro-4-pyridazinecarboxylate. Sodium hydride (53 mg, 1.326 mmol) was added to a solution of the compound from example 14a) (120 mg, 0.530 mmol) in N,N-Dimethylformamide (DMF) (3 ml) at 0° C. The reaction was brought to room temperature and stirred for 40 minutes. The temperature was then reduced to 0° C. and 2-(bromomethyl)-1,3-benzothiazole (112 mg, 0.491 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, 35-60% EtOAc/Hexanes) to give the title compound as an orange oil (61 mg, 0.163 mmol, 31%). 1H NMR (400 MHz, DMSO-d6) δ ppm 12.48 (s, 1H) 8.05-8.11 (m, 1H) 7.97-8.02 (m, 1H) 7.52 (ddd, J=8.21, 7.20, 1.26 Hz, 1H) 7.44 (td, J=7.58, 1.26 Hz, 1H) 5.59 (s, 2H) 4.27 (q, J=7.07 Hz, 2H) 3.20 (sept, J=6.82 Hz, 1H) 1.26 (t, J=7.20 Hz, 3H) 1.19 (d, J=6.82 Hz, 6H).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUSRE044613E1
Source datasetuspto-grants-2013_11
ORD IDord-c7b535085ba645a9a51b75b81a11f437
Source noteuspto-grants-2013_11