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28705-46-6

28705-46-6 Structure

28705-46-6 Structure
IdentificationBack Directory
[Name]

7-(DIETHYLAMINO)COUMARIN-3-CARBOXYLIC ACID ETHYL ESTER
[CAS]

28705-46-6
[Synonyms]

S0679
RARECHEM AB KA K019
ETHYL 7-(DIETHYLAMINO)COUMARIN-3-CARBOXYLATE
Ethyl7-(Diethylamino)coumarin-3-carboxylate>
ethyl 7-(diethylamino)-2-oxochromene-3-carboxylate
ETHYL 7-DIETHYLAMINO-COUMARIN-3-CARBOXYLATE: 98.5%
7-(DIETHYLAMINO)COUMARIN-3-CARBOXYLIC ACID ETHYL ESTER
7-Diethylamino-2-oxo-2H-1-benzopyran-3-carboxylic acid ethyl ester
2-Oxo-7-(diethylamino)-2H-1-benzopyran-3-carboxylic acid ethyl ester
7-(Diethylamino)-2-oxo-2H-1-benzopyran-3-carboxylic acid ethyl ester
2H-1-Benzopyran-3-carboxylicacid, 7-(diethylamino)-2-oxo-, ethyl ester
[Molecular Formula]

C16H19NO4
[MDL Number]

MFCD00227484
[MOL File]

28705-46-6.mol
[Molecular Weight]

289.33
Chemical PropertiesBack Directory
[Melting point ]

86 °C
[Boiling point ]

455.6±45.0 °C(Predicted)
[density ]

1.204
[Fp ]

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 DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P280-P301+P312-P302+P352-P305+P351+P338
[TSCA ]

TSCA listed
[HS Code ]

29322090
Hazard InformationBack Directory
[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
Spectrum DetailBack Directory
[Spectrum Detail]

7-(DIETHYLAMINO)COUMARIN-3-CARBOXYLIC ACID ETHYL ESTER(28705-46-6)1HNMR
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