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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 2307132Generated: November 3, 2026

Water → {4-[2,4-Bis(methoxymethoxy)phenyl]cyclohexylidene}acetonitrile

https://huagongshe.com/reaction/2307132

Reaction equation

Participants

RoleNameHCIDCharge
ReactantWaterHCID 962—
ReactantSodium hydrideHCID 24758—
ReactantDiethyl (cyanomethyl)phosphonateHCID 75676—
Reactant4-[2,4-Bis(methoxymethoxy)phenyl]cyclohexanoneHCID 12135170—
SolventDiethyl EtherHCID 3283—
Solvent1,2-DimethoxyethaneHCID 8071—
Product{4-[2,4-Bis(methoxymethoxy)phenyl]cyclohexylidene}acetonitrileHCID 2233776766%

Reaction Conditions

Temperature0 °C

Reaction Steps

To a round bottomed flask equipped with magnetic stirrer was added sodium hydride (40 mg, 0.95 mmol, 60% dispersion in mineral oil). After washing the sodium hydride with petroleum ether (2×20 ml), the excess solvent was removed under reduced pressure. 1,2-Dimethoxyethane (10 ml) was added and the stirred suspension cooled to 0° C. Diethyl cyanomethylphosphonate (102 μl, 0.95 mmol) was added dropwise. The reaction mixture was allowed to warm slowly to room temperature over 2 hr. 4-[(2,4-Bis(methoxymethoxy)phenyl)]cyclohexanone (200 mg, 0.68 mmol) was then added as a solution in 1,2-dimethoxyethane (10 ml) and the reaction mixture stirred for 17 hr at room temperature. The reaction mixture was poured into a separating funnel containing water (50 ml) and diethyl ether (50 ml). The layers were separated and the aqueous phase extracted with diethyl ether (2×20 ml). The combined organic layers were washed with brine (20 ml), dried over magnesium sulfate, filtered and concentrated in vacuo, to give an oil. Purification via flash column chromatography (SiO2, ethyl acetate/petroleum ether, 1:2, v/v) afforded the title compound (141 mg, 66%) as a pale yellow oil. δH(CD3OD) 1.57-1.70 (2H, m), 2.02-2.25 (2H, m), 2.34-2.49 (2H, m), 2.60 (1H, m), 3.03 (1H, m), 3.24 (1H, m), 3.47 (3H, s), 3.52 (3H, s), 5.17 (2H, s), 5.23(2H, s), 5.33 (1H, s), 6.66 and 6.69 (1H, d), 6.83 (1H, d), 7.09 (1H, d

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS06828460B2
Source datasetuspto-grants-2004_12
ORD IDord-252257fc97554a928104030591001e63
Source noteuspto-grants-2004_12