ChemicalBook--->CAS DataBase List--->85157-21-7

85157-21-7

85157-21-7 Structure

85157-21-7 Structure
IdentificationBack Directory
[Name]

7-Amino-4-carboxymethylcoumarin
[CAS]

85157-21-7
[Synonyms]

O-(5-bromoethyl)hydroxylamine
?7-aminocoumarin-4-acetic acid
7-Amino-4-carboxymethylcoumarin
2-(7-Amino-2-oxo-2H-chromen-4-yl)
7-Amino-2-oxo-2H-chromene-4-acetic Acid
2-(7-amino-2-oxo-chromen-4-yl)acetic acid
(7-Amino-2-oxo-2H-chromen-4-yl)-aceticacid
2-(7-AMino-2-oxo-2H-chroMen-4-yl)acetic acid
2H-1-Benzopyran-4-acetic acid, 7-amino-2-oxo-
[Molecular Formula]

C11H9NO4
[MDL Number]

MFCD13185880
[MOL File]

85157-21-7.mol
[Molecular Weight]

219.2
Chemical PropertiesBack Directory
[Melting point ]

181-183°C
[Boiling point ]

521.3±50.0 °C(Predicted)
[density ]

1.465±0.06 g/cm3(Predicted)
[storage temp. ]

2-8°C(protect from light)
[solubility ]

DMSO (Slightly), Methanol (Slightly, Heated)
[form ]

Solid
[pka]

4.27±0.10(Predicted)
[color ]

Off-White to Yellow
[InChI]

InChI=1S/C11H9NO4/c12-7-1-2-8-6(3-10(13)14)4-11(15)16-9(8)5-7/h1-2,4-5H,3,12H2,(H,13,14)
[InChIKey]

BPASMQQUFOLZCT-UHFFFAOYSA-N
[SMILES]

C1(=O)OC2=CC(N)=CC=C2C(CC(O)=O)=C1
Questions And AnswerBack Directory
[Uses]

7-Amino-4-carboxymethylcoumarin, also known as 7-aminocoumarin-4-acetic acid, can be used as a chemical and pharmaceutical intermediate.
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H332-H335
[Precautionary statements ]

P261-P280-P305+P351+P338
Spectrum DetailBack Directory
[Spectrum Detail]

7-Amino-4-carboxymethylcoumarin(85157-21-7)1HNMR
Hazard InformationBack Directory
[Synthesis]

To a 2L round-bottomed flask equipped with a condenser was added 7-N-(ethoxycarbonyl)aminocoumarin-4-acetic acid (101 g, 0.345 mol), NaOH (138 g, 3.45 mol) and H2O (900 mL). The reaction mixture was stirred at reflux for 16 hours. After cooling to room te
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