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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1503126Generated: October 31, 2026

m-Formylbenzonitrile → (Z)-3-[2-cyano-2-(5-methoxy-1H-indol-3-yl)-vinyl]-benzamide

https://huagongshe.com/reaction/1503126

Reaction equation

Participants

RoleNameHCIDCharge
Reactantm-FormylbenzonitrileHCID 90670—
Reactant2-(5-methoxy-1H-indol-3-yl)acetonitrileHCID 3564783—
Reactant2-Propanol, sodium salt (1:1)HCID 10920443—
Product(Z)-3-[2-cyano-2-(5-methoxy-1H-indol-3-yl)-vinyl]-benzamideHCID 49855060—

Reaction Steps

To a solution of sodium isopropanolate [prepared from sodium (30 mg, 1.3 mmol, 1.2 eq.) and isopropanol (8 mL)] were added, under an argon atmosphere, (5-methoxy-1H-indol-3-yl)-acetonitrile (200 mg, 1.1 mmol, 1.0 eq.) and, after 10 minutes stirring, 3-formyl-benzonitrile (200 mg, 1.5 mmol, 1.4 eq.). The reaction apparatus was protected from light and the mixture stirred heated at reflux for 4 hours. The reaction was allowed to cool to room temperature and then, the solvent was removed under reduced pressure, and the crude purified by silica gel flash-column chromatography (eluent: CH2Cl2/MeOH, 100:0 à 97:3). The residue was triturated with ethanol and diethyl ether to the compound (32) as a yellow powder (80 mg, 24%). TLC: Rf=0.34 (CH2Cl2 96/MeOH 4); mp: 234° C.; IR νmax (cm−1): 1651 (νC═O), 2215 (νCN), 3172 (νN—H amide), 3326 (νN—H indole); 1H NMR (DMSO, 300 MHz) δ (ppm): 3.89 (3H, s, 5′-methoxy), 6.97 (1H, m, H6′), 7.48 (2H, s, H7′ and amide H), 7.53 (1H, s, H4′), 7.65 (1H, m, H5″), 7.83 (2H, s, H3 and H2′), 7.95 (1H, m, H4″), 8.12 (2H, m, H6″ and amide H), 8.39 (1H, m, H2″), 11.68 (1H, s, indolic H); 13C NMR (DMSO, 75.5 MHz) δ (ppm): 55.6 (5′-methoxy), 101.8 (C4′), 107.0 and 110.3 (C2 and C3′), 112.3 (C6′), 113.2 (C7′), 118.3 (C1), 124.1 (C3a′), 127.3 (C2′), 127.9 (C4″), 128.3 (C2″), 128.7 (C5″), 130.5 (C6″), 132.3 (C7a′), 134.9 (C1″ and C3″), 135.5 (C3), 154.5 (C5′), 167.7 (amide C); ESI-MS: m/z 340.1 ([M+Na]+), 316.1 ([M−H]−); HRESI-MS: m/z 340.1067 (calcd for C19H15N3O2Na), m/z 316.1117 (calcd for C19H14N3O2, 316.1086).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS09212138B2
Source datasetuspto-grants-2015_12
ORD IDord-deaa94ae681d4cfe97144a8ef48f3bc4
Source noteuspto-grants-2015_12