7-(DIETHYLAMINO)COUMARIN-3-CARBOXYLIC ACID ETHYL ESTER

7-(DIETHYLAMINO)COUMARIN-3-CARBOXYLIC ACID ETHYL ESTER Property

Melting point:

86 °C

Boiling point:

455.6±45.0 °C(Predicted)

Density 

1.204

Flash point:

229.3℃

storage temp. 

Sealed in dry,Room Temperature

solubility 

soluble in Methanol

form 

powder to crystal

pka

2.83±0.20(Predicted)

color 

Light yellow to Amber to Dark green

InChI

InChI=1S/C16H19NO4/c1-4-17(5-2)12-8-7-11-9-13(15(18)20-6-3)16(19)21-14(11)10-12/h7-10H,4-6H2,1-3H3

InChIKey

MSOLGAJLRIINNF-UHFFFAOYSA-N

SMILES

C1(=O)OC2=CC(N(CC)CC)=CC=C2C=C1C(OCC)=O

EPA Substance Registry System

2H-1-Benzopyran-3-carboxylic acid, 7-(diethylamino)-2-oxo-, ethyl ester (28705-46-6)

Safety

HS Code 

29322090

Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

Hazard statements

H302Harmful if swallowed

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P301+P312IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.

P302+P352IF ON SKIN: wash with plenty of soap and water.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

7-(DIETHYLAMINO)COUMARIN-3-CARBOXYLIC ACID ETHYL ESTER Chemical Properties,Usage,Production

Uses

Ethyl 7-(diethylamino)-2-oxo-2H-chromene-3-carboxylate is a potent and selective inhibitor of hMAO-B with an IC50 of 45.52 μM[1].

References

[1] Secci D, et al. Synthesis and selective human monoamine oxidase inhibition of 3-carbonyl, 3-acyl, and 3-carboxyhydrazido coumarin derivatives. Eur J Med Chem. 2011 Oct;46(10):4846-52. DOI:10.1016/j.ejmech.2011.07.017