3-CYANO-4-METHYLCOUMARIN Chemical Properties

Melting point:

192-195 °C (dec.) (lit.)

Boiling point:

352.2±21.0 °C(Predicted)

Density 

1.29±0.1 g/cm3(Predicted)

storage temp. 

2-8°C

solubility 

DMSO (Slightly, Heated), Methanol (Slightly)

form 

Solid

color 

White to Off-White

CAS DataBase Reference

24526-69-0(CAS DataBase Reference)

Safety Information

Hazard Codes 

Xn

Risk Statements 

20/21/22

Safety Statements 

26-36

WGK Germany 

3

HS Code 

2932209090

MSDS

• Language:English Provider:SigmaAldrich

3-CYANO-4-METHYLCOUMARIN Usage And Synthesis

Uses

4-Methyl-2-oxo-2H-chromene-3-carbonitrile is a useful reactant for various organic reaction and synthesis of organic compounds.

Synthesis Reference(s)

Journal of the American Chemical Society, 75, p. 1886, 1953 DOI: 10.1021/ja01104a032

General Description

3-Cyano-4-methylcoumarin is a 3-substituted 4-methylcoumarin derivative. Its structural properties, vibrational frequencies and electronic spectra has been studied by density functional theory (DFT). It has been reported to be formed during the Knoevenagel condensation of o-hydroxyacetophenone with ethyl cyanoacetate catalyzed by calcined Mg-Al hydrotalcite. Synthesis of 3-cyano-4-methylcoumarin, via condensation of o-hydroxyacetophenone with ethyl cyanoacetate in the presence of sodium ethylate, has been reported.

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