Ethyl 1,4-Benzodioxan-2-carboxylate Chemical Properties

Boiling point:

88-95 °C/0.3 mmHg (lit.)

Density 

1.208 g/mL at 25 °C

refractive index 

n20/D 1.523

Flash point:

>230 °F

storage temp. 

Inert atmosphere,Room Temperature

form 

clear liquid

color 

Colorless to Yellow to Orange

InChI

InChI=1S/C11H12O4/c1-2-13-11(12)10-7-14-8-5-3-4-6-9(8)15-10/h3-6,10H,2,7H2,1H3

InChIKey

DDIGEMWIKJMEIU-UHFFFAOYSA-N

SMILES

O1C2=CC=CC=C2OCC1C(OCC)=O

CAS DataBase Reference

4739-94-0(CAS DataBase Reference)

Safety Information

Hazard Codes 

Xn

Risk Statements 

22

WGK Germany 

2

HazardClass 

IRRITANT

HS Code 

2916399090

MSDS

• Language:English Provider:SigmaAldrich

Ethyl 1,4-Benzodioxan-2-carboxylate Usage And Synthesis

Uses

2,3-Dihydro-1,4-benzodioxin-2-carboxylic Acid Ethyl Ester is an intermediate used to prepare presynaptic α2-adrenoreceptor antagonists and potential antidepressants. It is also used to prepare aminoalkylbenzodioxins as calcium antagonists.

Synthesis Reference(s)

Journal of the American Chemical Society, 77, p. 5373, 1955 DOI: 10.1021/ja01625a050

References

[1] Sangita M. Kasture. “Novel enzymatic route for kinetic resolution of (±)1,4-benzodioxan-2-carboxylic acid.” Biochemical Engineering Journal 27 1 (2005): Pages 66-71.

Ethyl 1,4-Benzodioxan-2-carboxylate(4739-94-0)Related Product Information

• 1,4-Benzodioxan-2-carboxylic acid
• 1,4-Benzodioxan
• ETHYL 1,4-BENZODIOXAN-2-CARBOXYLATE
• 2,3-DIHYDRO-BENZO[1,4]DIOXINE-2-CARBOXYLIC ACID BUTYL ESTER
• 2-HYDROXYMETHYL-1,4-BENZODIOXANE
• ETHYL 2-METHOXYPHENOXYACETATE
• METHYL 1,4-BENZODIOXAN-2-CARBOXYLATE
• 1,4-Benzodioxane-2-carboxylic acid
• 1,4-Benzodioxan-2-carboxylic acid, 3-phenyl-, 2-(2-(diethylamino)ethox y)ethyl ester, citrate, (E)-
• CHEMBRDG-BB 5144041
• trans-2-(Diethylamino)ethyl 2,3-dihydro-3-phenyl-1,4-benzodioxin-2-car boxylate citrate