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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1897777Generated: October 26, 2026

Toluene → HCID 49820124, compound

https://huagongshe.com/reaction/1897777

Reaction equation

Participants

RoleNameHCIDCharge
ReactantTolueneHCID 1140—
ReactantAmmonium ChlorideHCID 25517—
ReactantEthanesulfonamideHCID 73702—
Reactant4-(5-Formyl-pyridin-3-yl)-3-methoxy-benzonitrileHCID 59578430—
CatalystTitanium isopropoxideHCID 11026—
SolventEthyl AcetateHCID 8857—
SolventSodium chloride; waterHCID 57417360—
ProductHCID 49820124HCID 4982012426%

Reaction Conditions

Temperature-36 °C

Reaction Steps

Titanium isopropoxide (1.1 mL, 3.77 mmol) was added to a mixture of 4-(5-formyl-pyridin-3-yl)-3-methoxy-benzonitrile (449 mg, 1.88 mmol) and ethanesulfonamide (226 mg, 2.07 mmol) in toluene (10 mL) at room temperature. The resulting mixture was heated to reflux for 2 h. After concentration, the residue was dissolved in THF (7 mL) and a solution of c-PrMgBr (0.5 M in THF, 18.8 mL, 9.42 mmol) was added dropwise at −40° C. The resulting mixture was stirred at −36° C. for 1 h. Saturated NH4Cl solution was added to the reaction mixture. The resulting mixture was diluted with ethyl acetate and brine and subsequently filtered. The organic layer was separated and concentrated. The residue was purified by flash column (EtOAc/Heptane=0-60%) to give the title compound (182 mg, 26% yield); ESI-MS m/z: 372 [M+1]; 1H-NMR (MeOD, 400 MHz) δ 8.59 (1H, d, J=2.0 Hz), 8.57 (1H, d, J=2.0 Hz), 8.07 (1H, t, J=2.0 Hz), 7.54 (1H, d, J=7.6 Hz), 7.49 (1H, s), 7.45 (1H, d, J=7.6 Hz), 7.42 (1H, d, J=8.4 Hz), 3.89 (3H, s), 3.88 (1H, d, J=9.2 Hz), 3.01-2.88 (2H, m), 1.30-1.25 (1H, m), 1.25 (1H, t, J=7.2 Hz), 0.77-0.70 (1H, m), 0.64-0.54 (2H, m), 0.48-0.42 (1H, m)

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08519142B2
Source datasetuspto-grants-2013_08
ORD IDord-125c5de3384349f59c0b60bca7d34d32
Source noteuspto-grants-2013_08