Amino(3-oxo-2,3-dihydro-1,2-oxazol-5-yl)acetic acid

Basic Information

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CAS Number

2552-55-8

Molecular Formula

C5H6N2O4

Molecular Weight

158.11 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

Melting Point

161-163 ºC (dec.)

Boiling Point

458.8±45.0 °C at 760 mmHg

Flash Point

231.3±28.7 °C

Vapor Pressure

0.0±1.2 mmHg at 25°C

SMILES

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C1=C(ONC1=O)C(C(=O)O)N

InChI

InChI=1S/C5H6N2O4/c6-4(5(9)10)2-1-3(8)7-11-2/h1,4H,6H2,(H,7,8)(H,9,10)

InChIKey

IRJCBFDCFXCWGO-UHFFFAOYSA-N

LogP

-0.5354000000000001

Topological Polar Surface Area

109.58 Å²

Hydrogen Bond Donor/Acceptor

4 / 6

Complexity

235

Safety Information

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GHS Hazard Pictograms

H301

Hazard Statement

H301 Toxic if swallowed
Acute toxicity, oral

Hazard Class

Class 6.1(b) Class 6.1(b)

Toxicity

LD50 in mice, rats (mg/kg): 15, 42 i.v.; 38, 129 orally (Theobald)

Synonyms & References

English

?-Amino-(3-hydroxy-5-isoxazolyl)acetic acid
2-amino-2-(3-oxoisoxazol-5-yl)acetic acid
PDSP2_001410
AKOS006228673
(y)-Ibotenic acid
MLS002153141
(RS)-Ibotenic acid;DL-Ibotenic acid
IBOTENIC ACID, (+/-)-
NCGC00024524-03
2-amino-2-(3-oxo-1,2-oxazol-5-yl)acetic acid
MFCD00069294
NCGC00024524-02
SR-01000075462-1
5-Isoxazoleaceticacid,-alpha--amino-2,3-dihydro-3-oxo-,(-alpha-S)-(9CI)
FT-0696850
5-Isoxazoleacetic acid,a-amino-2,3-dihydro-3-oxo-
2-amino-2-(3-oxo-2,3-dihydroisoxazol-5-yl)acetic acid
BCP23586
a-Amino-(3-hydroxy-5-isoxazolyl)acetic acid
NCGC00015555-06
NSC204850
EU-0100651
IBOTENICACID
DTXSID40893771
IBOTENIC ACID [MI]
SR-01000075462-3
HMS3262C03
(+/-)-Ibotenic acid
HMS3266E19
BDBM82355
NS00075437

MDL Number

MFCD00069294

FAQ

What regulatory guidelines apply to Amino(3-oxo-2,3-dihydro-1,2-oxazol-5-yl)acetic acid (CAS: 2552-55-8)?

Amino(3-oxo-2,3-dihydro-1,2-oxazol-5-yl)acetic acid (CAS: 2552-55-8) falls under the scope of the REACH regulation in the EU, which requires registration, authorization, and assessment of substances. It is also subject to the Globally Harmonized System of Classification and Labelling of Chemicals (GHS). In the US, it complies with FDA and EPA regulations for chemical substances.

Are there alternatives to Amino(3-oxo-2,3-dihydro-1,2-oxazol-5-yl)acetic acid in synthesis?

There are several alternatives to Amino(3-oxo-2,3-dihydro-1,2-oxazol-5-yl)acetic acid in synthesis, such as oxime-acetic acid derivatives and other oxazoline-based compounds. Common alternative reagents include oxalic acid, hydroxylamine, and various aldehydes or ketones.

What is the market or research trend for Amino(3-oxo-2,3-dihydro-1,2-oxazol-5-yl)acetic acid?

The market for Amino(3-oxo-2,3-dihydro-1,2-oxazol-5-yl)acetic acid is growing due to its application in pharmaceuticals and biotechnology. Research trends are focused on its use as a building block in medicinal chemistry and as a reagent in organic synthesis. Studies are exploring its potential for drug development and as a precursor in the synthesis of other compounds.

How should waste containing Amino(3-oxo-2,3-dihydro-1,2-oxazol-5-yl)acetic acid be handled?

Waste containing Amino(3-oxo-2,3-dihydro-1,2-oxazol-5-yl)acetic acid should be collected in appropriate containers, labeled with the chemical name and CAS number (2552-55-8). It should be disposed of through a professional waste disposal service that complies with local and international regulations. Environmental protection measures, such as ensuring no contamination of water sources, should be followed.