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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 84672Generated: October 29, 2026

Sodium Carbonate → HCID 53235215, compound

https://huagongshe.com/reaction/84672

Reaction equation

Participants

RoleNameHCIDCharge
ReactantSodium CarbonateHCID 10340—
Reactant4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazoleHCID 2774010—
ReactantHCID 57900120HCID 57900120—
CatalystTetrakis(triphenylphosphine)palladiumHCID 11979704—
SolventWaterHCID 962—
SolventAcetonitrileHCID 6342—
SolventEthyl AcetateHCID 8857—
ProductHCID 53235215HCID 5323521520.1%

Reaction Conditions

Temperature140 °C

Reaction Steps

A suspension of 8-bromo-2-(5-isopropyl-[1,2,4]triazol-1-yl)-4,5-dihydro-6-oxa-3-thia-1-aza-benzo[e]azulene (84 mg, 0.21 mmol), 4,4,5,5-tetramethyl-2-(1H-pyrazol-4-yl)-1,3,2-dioxaborolane (62 mg, 0.32 mmol), tetrakis(triphenylphosphine) palladium (0) (24 mg, 0.021 mmol) and sodium carbonate (45 mg, 0.42 mmol) in acetonitrile (6 mL) and water (3 mL) under nitrogen was heated at 140° C. for 25 mins under microwave irradiation. More tetrakis(triphenylphosphine) palladium (0) (24 mg, 0.021 mmol) was added, and heating was pursued for 30 mins at 150° C. The reaction mixture was diluted with ethyl acetate and water. The organic layer was washed with brine, dried (Na2SO4), concentrated in vacuo and purified twice by flash chromatography (SiO2, gradient 50 to 75% ethyl acetate in cyclohexane, then 60% ethyl acetate in cyclohexane) to afford 484 as an off-white solid (16 mg, 20%). LCMS (Method C): RT=10.30 min, [M+H]+=379. 1H NMR (DMSO-d6): 12.98 (1 H, bs), 8.28 (1 H, bs), 8.18 (1 H, d, J=8.3 Hz), 8.16 (1 H, s), 7.99 (1 H, bs), 7.46 (1 H, dd, J=8.3, 1.8 Hz), 7.34 (1 H, d, J=1.8 Hz), 4.38 (2 H, t, J=5.0 Hz), 4.13-4.01 (1 H, m), 3.37 (2 H, t, J=5.0 Hz), 1.43 (3 H, s), 1.41 (3 H, s).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08846762B2
Source datasetuspto-grants-2014_09
ORD IDord-fd24b1f318454f84aaa66bc3e53279f1
Source noteuspto-grants-2014_09