1-(4-methyloxazol-5-yl)ethan-1-one

Basic Information

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CAS Number

23012-19-3

Molecular Formula

C6H7NO2

Molecular Weight

125.13 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

Basic Physical Properties

Boiling Point

190.592°C at 760 mmHg

Density

1.105

Flash Point

69.068°C

Refractive Index

1.468

SMILES

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CC1=C(OC=N1)C(=O)C

InChI

InChI=1S/C6H7NO2/c1-4-6(5(2)8)9-3-7-4/h3H,1-2H3

InChIKey

BYBRWPKBEPJABL-UHFFFAOYSA-N

LogP

1.18562

Topological Polar Surface Area

43.1 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

124

Synonyms & References

English

DTXSID00452424
Y13954
1-(4-methyloxazol-5-yl)ethan-1-one
Ethanone, 1-(4-methyl-5-oxazolyl)-
J-503361
Ketone, methyl 4-methyl-5-oxazolyl
AM81168
5-acetyl-4-methyloxazole
AKOS006306131
BYBRWPKBEPJABL-UHFFFAOYSA-N
A816484
1-(4-methyloxazol-5-yl)ethanone
1-(4-methyl-1,3-oxazol-5-yl)ethanone
4-methyl-5-acetyloxazole
23012-19-3
FT-0645378
SCHEMBL8613762
ethyl 1-benzyl-1,2,3,6-tetrahydropyridine-4-carboxylate
5-Acetyl-4-methyloxazole
1-(4-methyl-5-oxazolyl)ethanone
1-(4-methyl-oxazol-5-yl)-ethanone
4-Methyl-5-acetyl-oxazol
5-Acetyl-4-methyloxazol
AG-E-66659
CTK4F0681
Ethanone,1-(4-methyl-5-oxazolyl)-
SureCN8613762
Ketone,methyl 4-methyl-5-oxazolyl (6CI,8CI)

MDL Number

MFCD11109866

FAQ

What are the physical and chemical properties of 1-(4-methyloxazol-5-yl)ethan-1-one (CAS: 23012-19-3)?

1-(4-methyloxazol-5-yl)ethan-1-one (CAS: 23012-19-3) is a crystalline solid with a molecular weight of approximately 186.21 g/mol. It has a low solubility in water but is soluble in organic solvents like ethanol and acetone. The compound is relatively stable under normal conditions but undergoes mild hydrolysis in the presence of strong acids or bases. It shows reactivity towards nucleophiles and can be used in various organic transformations such as addition reactions and condensation reactions.

How is 1-(4-methyloxazol-5-yl)ethan-1-one (CAS: 23012-19-3) typically synthesized?

1-(4-methyloxazol-5-yl)ethan-1-one (CAS: 23012-19-3) can be synthesized via the condensation of 4-methyl-5-oxazolamine with acetaldehyde using a catalytic amount of a strong acid like hydrochloric acid. The reaction is carried out under reflux conditions. The use of other catalysts such as p-toluenesulfonic acid or sulfuric acid can also be effective. The yield of the reaction is around 70-80% with good selectivity.

What industries use 1-(4-methyloxazol-5-yl)ethan-1-one (CAS: 23012-19-3)?

1-(4-methyloxazol-5-yl)ethan-1-one (CAS: 23012-19-3) is primarily used in the pharmaceutical industry as an intermediate in the synthesis of drug molecules. It is also utilized in the polymer industry for the preparation of functional polymers with enhanced properties. Additionally, it has applications in sensing technology, particularly in the development of biosensors, and in the semiconductor industry as a precursor for certain organic materials.

What precautions should be taken when handling 1-(4-methyloxazol-5-yl)ethan-1-one (CAS: 23012-19-3)?

When handling 1-(4-methyloxazol-5-yl)ethan-1-one (CAS: 23012-19-3), it is important to wear appropriate personal protective equipment (PPE) such as gloves and safety goggles. The compound should be handled in a well-ventilated area or in a fume hood to minimize inhalation risk. Spills should be cleaned up immediately using appropriate absorbents, and the area should be flushed with water. In case of skin contact, wash the affected area with soap and water. Always refer to the Safety Data Sheet (SDS) for detailed handling and emergency procedures.