[7-(Dimethylamino)-2-oxo-2H-chromen-4-yl]acetic acid

Basic Information

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CAS Number

80883-54-1

Molecular Formula

C13H13NO4

Molecular Weight

247.25 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

SMILES

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OC(=O)Cc1cc(=O)oc2c1ccc(c2)N(C)C

InChI

InChI=1S/C13H13NO4/c1-14(2)9-3-4-10-8(5-12(15)16)6-13(17)18-11(10)7-9/h3-4,6-7H,5H2,1-2H3,(H,15,16)

InChIKey

HQMBLJOHUDYJLK-UHFFFAOYSA-N

LogP

1.4861

Topological Polar Surface Area

70.74999999999999 Å²

Hydrogen Bond Donor/Acceptor

1 / 5

Synonyms & References

English

7-Dimethylaminocoumarin-4-acetic acid
2-(7-(Dimethylamino)-2-oxo-2H-chromen-4-yl)acetic acid
2-[7-(dimethylamino)-2-oxochromen-4-yl]acetic acid
(7-dimethylamino-2-oxo-2H-chromen-4-yl)acetic acid
2-[7-(dimethylamino)-2-oxo-2H-chroman-4-yl]acetic acid
7-(Dimethylamino)coumarin-4-aceticacid(DMACA)
7-diethylaminocoumarin-3-carboxylic acid
Coumarin D 126
DMACA

MDL Number

MFCD03094410

Customs Code

2932209090

FAQ

What is [7-(Dimethylamino)-2-oxo-2H-chromen-4-yl]acetic acid (CAS: 80883-54-1)?

7-(Dimethylamino)-2-oxo-2H-chromen-4-yl]acetic acid, also known as Chromen-4-carboxylic acid, 7-(dimethylamino)-2-oxo-2H-chromen-4-yl ester, is a chemical compound with the CAS number 80883-54-1. This compound has a molecular formula of C15H12N2O3 and exhibits properties such as solubility in organic solvents. It is characterized by its chromene ring and a substituted amine group.

What are the main uses of [7-(Dimethylamino)-2-oxo-2H-chromen-4-yl]acetic acid (CAS: 80883-54-1)?

7-(Dimethylamino)-2-oxo-2H-chromen-4-yl]acetic acid is primarily used in pharmaceutical applications, serving as an intermediate in the synthesis of various drugs. It also finds use in research and development for its unique chemical properties, and in certain industrial processes where its reactivity and solubility make it valuable.

Is 7-(Dimethylamino)-2-oxo-2H-chromen-4-yl]acetic acid (CAS: 80883-54-1) safe?

7-(Dimethylamino)-2-oxo-2H-chromen-4-yl]acetic acid is generally considered safe when handled with appropriate precautions. However, it should be used in a well-ventilated area and with personal protective equipment such as gloves and goggles. Avoid contact with skin and eyes, and ensure proper disposal according to environmental regulations.

How should 7-(Dimethylamino)-2-oxo-2H-chromen-4-yl]acetic acid (CAS: 80883-54-1) be stored?

7-(Dimethylamino)-2-oxo-2H-chromen-4-yl]acetic acid should be stored in a cool, dry place away from direct sunlight and moisture. It is recommended to keep the compound in a tightly sealed container to protect it from air and light. The storage temperature should be maintained below 25°C to ensure stability and prevent degradation.