4-Benzylidene-2-methyloxazol-5(4H)-one

Basic Information

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CAS Number

881-90-3

Molecular Formula

C11H9NO2

Molecular Weight

187.2 g/mol

EINECS

212-921-7

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

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Boiling Point

292.1°C at 760 mmHg

SMILES

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O=C1OC(=N/C/1=C/c1ccccc1)C

InChI

InChI=1S/C11H9NO2/c1-8-12-10(11(13)14-8)7-9-5-3-2-4-6-9/h2-7H,1H3/b10-7+

InChIKey

BWQBTJRPSDVWIR-JXMROGBWSA-N

LogP

2.0027

Topological Polar Surface Area

38.66 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

2-Methyl-4-benzylidene-(4,5-2H)-5-oxazolone
4-BENZYLIDENE-2-METHYL-4H-OXAZOL-5-ONE
2-Methyl-4-benzylidene-2-oxazoline-5-one
4-Benzylidene-2-methyloxazol-5(4H)-one
5(4H)-Oxazolone, 2-Methyl-4-(phenylMethylene)-
2-methyl-4-(phenylmethylene)oxazol-5(4H)-one
2-Methyl-4-(phenylmethylene)-5(4H)-Oxazolone
(4E)-4-benzylidene-2-methyl-1,3-oxazol-5-one
5(4H)-Oxazolone,2-methyl-4-(phenylmethylene)-

MDL Number

MFCD00098977

EC Number

212-921-7

FAQ

What are the physical and chemical properties of 4-Benzylidene-2-methyloxazol-5(4H)-one (CAS: 881-90-3)?

4-Benzylidene-2-methyloxazol-5(4H)-one (CAS: 881-90-3) is a crystalline solid with a molecular weight of approximately 198.21 g/mol. It has low solubility in water but is more soluble in organic solvents like ethanol and acetone. This compound is known for its reactivity, particularly in forming complexes with metal ions and undergoing nucleophilic substitution reactions.

How is 4-Benzylidene-2-methyloxazol-5(4H)-one (CAS: 881-90-3) typically synthesized?

4-Benzylidene-2-methyloxazol-5(4H)-one can be synthesized by the condensation of 2-methyl-5-oxazoline-4-one with benzaldehyde in the presence of a strong base like sodium hydroxide. The reaction typically yields 90% purity with good selectivity and a high yield of 85%.

What industries use 4-Benzylidene-2-methyloxazol-5(4H)-one (CAS: 881-90-3)?

4-Benzylidene-2-methyloxazol-5(4H)-one (CAS: 881-90-3) is utilized in the pharmaceutical industry for the synthesis of certain drugs, in polymer chemistry for its use as a monomer, and in the production of sensors due to its reactivity with various functional groups. It is also explored in semiconductor applications for its electronic properties.

What precautions should be taken when handling 4-Benzylidene-2-methyloxazol-5(4H)-one (CAS: 881-90-3)?

When handling 4-Benzylidene-2-methyloxazol-5(4H)-one (CAS: 881-90-3), it is recommended to wear appropriate personal protective equipment (PPE) such as gloves and goggles. The compound should be stored in a cool, dry place, away from direct sunlight and heat sources. In case of a spill, ensure proper ventilation and follow standard spill procedures as outlined in the safety data sheet (SDS). Always use a fume hood during handling to minimize inhalation exposure.