Methyl 2-(5-oxo-4,5-dihydroisoxazol-3-yl)acetate

Basic Information

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CAS Number

96530-57-3

Molecular Formula

C6H7NO4

Molecular Weight

157.13 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

SMILES

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COC(=O)CC1=NOC(=O)C1

InChI

InChI=1S/C6H7NO4/c1-10-5(8)2-4-3-6(9)11-7-4/h2-3H2,1H3

InChIKey

WKVDPSIRIKEXPH-UHFFFAOYSA-N

LogP

-0.1476000000000004

Topological Polar Surface Area

64.96000000000001 Å²

Hydrogen Bond Donor/Acceptor

0 / 5

Complexity

221

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

Methyl 2-(5-oxo-4,5-dihydroisoxazol-3-yl)acetate
3-Isoxazoleacetic acid,4,5-dihydro-5-oxo-, methyl ester
methyl 2-(5-oxo-4H-1,2-oxazol-3-yl)acetate
Methyl 4,5-dihydro-5-oxo-3-isoxazoleacetate (ACI)
WDA53057
CS-0061882
96530-57-3
Methyl2-(5-oxo-4,5-dihydroisoxazol-3-yl)acetate
AS-70220
FD10558
AKOS022185720
METHYL 2-(5-OXO-4H-1,2-OXAZOL-3-YL)ACETATE
methyl 2-(5-oxo-4,5-dihydro-1,2-oxazol-3-yl)acetate
3-Isoxazoleaceticacid,4,5-dihydro-5-oxo-,methylester(9CI)
MFCD18833115
3-Isoxazoleacetic acid, 4,5-dihydro-5-oxo-, methyl ester

MDL Number

MFCD18833115

FAQ

What is Methyl 2-(5-oxo-4,5-dihydroisoxazol-3-yl)acetate (CAS: 96530-57-3)?

Methyl 2-(5-oxo-4,5-dihydroisoxazol-3-yl)acetate (CAS: 96530-57-3) is a chemical compound with a molecular structure that includes a methyl group attached to a 2-(5-oxo-4,5-dihydroisoxazol-3-yl)acetate moiety. It is colorless to white crystalline solid with a characteristic odor. This compound is known for its stability and unique chemical properties.

What are the main uses of Methyl 2-(5-oxo-4,5-dihydroisoxazol-3-yl)acetate (CAS: 96530-57-3)?

Methyl 2-(5-oxo-4,5-dihydroisoxazol-3-yl)acetate (CAS: 96530-57-3) is primarily used in pharmaceuticals for the synthesis of drugs and intermediates. It also finds use in industrial applications such as the production of dyes and pigments. Additionally, it may be used in research as a reagent or precursor.

Is Methyl 2-(5-oxo-4,5-dihydroisoxazol-3-yl)acetate (CAS: 96530-57-3) safe?

Methyl 2-(5-oxo-4,5-dihydroisoxazol-3-yl)acetate (CAS: 96530-57-3) is generally considered safe for its intended use, but proper handling and personal protective equipment (PPE) are recommended. It is important to work in a well-ventilated area and avoid contact with skin and eyes. Spills should be cleaned up carefully to prevent inhalation or ingestion.

How should Methyl 2-(5-oxo-4,5-dihydroisoxazol-3-yl)acetate (CAS: 96530-57-3) be stored?

Methyl 2-(5-oxo-4,5-dihydroisoxazol-3-yl)acetate (CAS: 96530-57-3) should be stored at room temperature, between 15-25°C, away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent moisture absorption. Humidity levels should be maintained below 50% to ensure the stability of the compound.