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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1503128Generated: October 30, 2026

Diethyl Ether → HCID 49855062, compound

https://huagongshe.com/reaction/1503128

Reaction equation

Participants

RoleNameHCIDCharge
ReactantDiethyl EtherHCID 3283—
Reactant3-PyridinecarboxaldehydeHCID 10371—
ReactantHCID 10703201HCID 10703201—
ReactantSodium MethoxideHCID 10942334—
SolventEthanolHCID 702—
SolventDichloromethaneHCID 6344—
ProductHCID 49855062HCID 49855062—

Reaction Conditions

Temperature50 °C

Reaction Steps

To a solution of sodium methanolate (162 mg, 3.0 mmol, 2.0 eq.) in anhydrous ethanol (20 mL) were added, under an argon atmosphere, (5-methoxy-2-methyl-1H-indol-3-yl)-acetonitrile (300 mg, 1.5 mmol, 1.0 eq.) and, after 30 minutes stirring, pyridine-3-carbaldehyde (352 μL, 3.8 mmol, 2.5 eq.). The reaction apparatus was protected from light and the mixture heated at 50° C. for 12 hours. The reaction was allowed to cool to room temperature and then, the solvent was removed under reduced pressure and the crude taken up in ethyl acetate. The organic layer was washed with water and brine, dried over MgSO4 and then, evaporated. The residue was purified by silica gel flash-column chromatography (eluent: heptane/EtOAc, 40/60) to afford, after trituration with diethyl ether and dichloromethane, the compound (35) as a yellow solid (250 mg, 58%). IR □max (cm−1): 2212 (νCN); 1H NMR (DMSO, 300 MHz) δ (ppm): 2.54 (3H, s, 2′-methyl), 3.77 (3H, s, 5′-methoxy), 6.78 (1H, dd, J6′-7′=8.9 Hz, J6′-4′=2.4 Hz, H6′), 7.18 (1H, d, J4′-6′=2.4 Hz, H4′), 7.27 (1H, d, J7′-6′=8.9 Hz, H7′), 7.50 (1H, s, H3), 7.55 (1H, dd, J5″-4″=8.1 Hz, J5″-6″=4.8 Hz, H5″), 7.74 (1H, s, H3), 8.35 (1H, d, J4″-5″=8.1 Hz, H4″), 8.61 (1H, d, J6″-5″=4.8 Hz, H6″), 8.97 (1H, s, H2″), 11.45 (1H, s, indolic H); 13C NMR (DMSO, 75.5 MHz) δ (ppm): 12.6 (2′-methyl), 55.3 (5′-methoxy), 100.4 (C4′), 106.1 (C2), 106.9 (C3′), 110.9 (C6′), 111.9 (C7′), 118.0 (C1), 123.7 (C5″), 126.2 (C3a′), 129.9 (C2′), 130.5 (C3″), 134.6 (C3), 136.3 (C7a′), 137.6 (C4″), 149.8 (C6″), 150.0 (C2″), 154.1 (C5′); ESI-MS: m/z 290.1 ([M+H]+), 312.1 ([M+Na]+); HRESI-MS: m/z 290.1299 (calcd for C18H16N3O+, 290.1293).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS09212138B2
Source datasetuspto-grants-2015_12
ORD IDord-4df29aaf77a14c31ad2f213c33939ffd
Source noteuspto-grants-2015_12