Back
HuagongsheHuagongshe Chemistry Print Report · For research reference only
HRID 1890779Generated: October 30, 2026

Acetic Acid → HCID 86646771, compound

https://huagongshe.com/reaction/1890779

Reaction equation

Participants

RoleNameHCIDCharge
ReactantAcetic AcidHCID 176—
ReactantCyanamideHCID 9864—
ReactantSodium ethoxideHCID 2723922—
ReactantSodiumHCID 5360545—
ReactantHCID 57467435HCID 57467435—
SolventEthanolHCID 702—
ProductHCID 86646771HCID 86646771—

Reaction Steps

To a solution of sodium ethoxide in ethanol, freshly prepared from sodium (0.02 mol) and ethanol (50 mL), was added 2-methyl-2-phenoxypropanenitrile from Step D (0.05 mol). The mixture was stirred overnight at room temperature, and then acetic acid (0.07 mol) was added, followed by addition of NH2CN (0.05 mol). The mixture was stirred for 3 hours and the solvent was removed. The residue was purified by column chromatography on silica gel (mobile phase: petroleum ether/ethyl acetate=4:1˜1:1) to give the titled compound. 1H NMR (400 MHz, CDCl3) δ ppm 7.27 (t, J=8.0 Hz 2H), 7.05 (t, J=7.2 Hz 1H), 6.88˜6.90 (m, 2H), 4.38 (q, J=7.2 Hz, 2H), 1.61 (s, 6H), 1.39 (t, J=7.2 Hz, 3H); LCMS (ESI+) m/z 233 (M+H)+.

Provenance & Evidence

DOI10.6084/m9.figshare.5104873.v1
Patent numberUS08507493B2
Source datasetuspto-grants-2013_08
ORD IDord-bc503395b0dd4edc9d94b1d7adf9916d
Source noteuspto-grants-2013_08