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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1008824Generated: October 25, 2026

Formaldehyde → 2-(4H-benzo[d][1,3]dioxin-6-yl)acetonitrile

https://huagongshe.com/reaction/1008824

Reaction equation

Participants

RoleNameHCIDCharge
ReactantFormaldehydeHCID 712—
Reactant4-Hydroxybenzyl cyanideHCID 26548—
Reactantp-Toluenesulfonic acid monohydrateHCID 521998—
SolventTolueneHCID 1140—
Product2-(4H-benzo[d][1,3]dioxin-6-yl)acetonitrileHCID 591662219,757.2%

Reaction Steps

To a solution of (4-hydroxyphenyl)acetonitrile (17.3 g, 0.13 mol) in toluene (350 mL) were added paraformaldehyde (39.0 g, 0.43 mmol) and toluene-4-sulfonic acid monohydrate (2.5 g, 13 mmol) at room temperature. The reaction mixture was heated at reflux for 1 hour. Toluene was removed by evaporation. Water (150 mL) and ethyl acetate (150 mL) were added. The organic layer was separated and the aqueous layer was extracted with ethyl acetate. The combined organics were washed with brine, dried over Na2SO4 and evaporated under vacuum. The residue was separated by preparative HPLC to give 2-(4H-benzo[d][1,3]dioxin-6-yl)acetonitrile (7.35 g, 32%). 1H NMR (400 MHz, CDCl3) δ 7.07-7.11 (m, 1 H), 6.95-6.95 (m, 1 H), 6.88 (d, J=11.6 Hz, 1 H), 5.24 (s, 2 H), 4.89 (s, 2 H), 3.67 (s, 2 H).

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS07973038B2
Source datasetuspto-grants-2011_07
ORD IDord-9db149e862ce4de8baf9a0a9c8b54454
Source noteuspto-grants-2011_07