1-(1,3-Oxazol-4-yl)ethanone

Basic Information

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CAS Number

859046-10-9

Molecular Formula

C5H5NO2

Molecular Weight

111.1 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

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

SMILES

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CC(=O)c1cocn1

InChI

InChI=1S/C5H5NO2/c1-4(7)5-2-8-3-6-5/h2-3H,1H3

InChIKey

NGZJBIGWTNAOPZ-UHFFFAOYSA-N

LogP

0.8772

Topological Polar Surface Area

43.1 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

103

Synonyms & References

English

1 - 恶唑-4-乙酮
1-OXAZOL-4-YL-ETHANONE
1-(OXAZOL-4-YL)ETHANONE
1-(1,3-OXAZOL-4-YL)ETHANONE
4-acetyloxazole
1-(oxazol-4-yl)ethan-1-one
9362AH
1-(1,3-oxazol-4-yl)ethan-1-one
AB73503
AT18593

MDL Number

MFCD18250706

FAQ

What are the physical and chemical properties of 1-(1,3-Oxazol-4-yl)ethanone (CAS: 859046-10-9)?

1-(1,3-Oxazol-4-yl)ethanone is a crystalline solid with a molecular weight of approximately 150.21 g/mol. It is slightly soluble in water and more soluble in organic solvents like ethanol and acetone. Chemically, it is moderately reactive, particularly with nucleophiles, and can undergo various organic reactions such as nucleophilic substitution and condensation reactions.

How is 1-(1,3-Oxazol-4-yl)ethanone (CAS: 859046-10-9) typically synthesized?

1-(1,3-Oxazol-4-yl)ethanone can be synthesized via the condensation of 4-chloro-1-ethoxymethylene-1,3-oxazole with sodium ethoxide in ethanol or via the reaction of 4-chlorothiazole with acetaldehyde using a suitable base. The reaction yields a moderately pure product with good selectivity and high yield.

What industries use 1-(1,3-Oxazol-4-yl)ethanone (CAS: 859046-10-9)?

1-(1,3-Oxazol-4-yl)ethanone is used in the pharmaceutical industry for the synthesis of certain drugs, and in the chemical industry for the production of polymers and sensors. It is also utilized in semiconductor manufacturing for specific applications requiring its unique chemical properties.

What precautions should be taken when handling 1-(1,3-Oxazol-4-yl)ethanone (CAS: 859046-10-9)?

When handling 1-(1,3-Oxazol-4-yl)ethanone, it is essential to wear protective equipment such as gloves and safety glasses. Work in a well-ventilated area or a fume hood to minimize exposure. Store it in a cool, dry place away from direct sunlight and heat sources. In case of spill, neutralize the spill with an appropriate acid or base before cleaning up, and consult the Safety Data Sheet (SDS) for detailed instructions.