7-Methyl-2H-1,4-benzoxazin-3(4H)-one

Basic Information

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CAS Number

39522-25-3

Molecular Formula

C9H9NO2

Molecular Weight

163.18 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

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

Basic Physical Properties

SMILES

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CC1=CC2=C(C=C1)NC(=O)CO2

InChI

InChI=1S/C9H9NO2/c1-6-2-3-7-8(4-6)12-5-9(11)10-7/h2-4H,5H2,1H3,(H,10,11)

InChIKey

XFJYLKINYUFREU-UHFFFAOYSA-N

LogP

1.3259199999999998

Topological Polar Surface Area

38.33 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

193

Synonyms & References

English

7-methyl-2H-1,4-benzoxazin-3(4H)-one
3,4-dihydro-7-methyl-3-oxo-1,4(2H)-benzoxazine
7-methyl-2H-benzo[b][1,4]oxazin-3(4H)-one
7-methyl-2H-benzo[b][1,4]oxazin-3-(4H)-one
7-methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazine
7-methyl-4H-benz[1,4]oxazin-3-one
7-Methyl-4H-benzo[1,4]oxazin-3-one
AC1L7MQ4
BBL004345
NSC226198
ST4110520
STK663859
SureCN280003
6-methyl-3,4-dihydro-2H-1,4-benzoxazin-3-one
7-METHYL-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-3-ONE
MFCD03019817
SY130720
NSC-226198
7-Methyl-2H-benzo[b][1,4]oxazin-3(4H)-one
2,3-Dihydro-7-methyl-1,4-benzoxazine-3-one
7-Methyl-2H-1,4-benzoxazin-3(4H)-one #
DTXSID60310374
LS-07626
SCHEMBL280003
39522-25-3
7-METHYL-2,4-DIHYDRO-1,4-BENZOXAZIN-3-ONE
AKOS003348441
7-Methyl-2H-1,4-benzoxazin-3(4H)-one
AB12998
CS-0057878
DB-108265

MDL Number

MFCD03019817

FAQ

What are the physical and chemical properties of 7-Methyl-2H-1,4-benzoxazin-3(4H)-one (CAS: 39522-25-3)?

7-Methyl-2H-1,4-benzoxazin-3(4H)-one (CAS: 39522-25-3) is a crystalline compound with a molecular weight of approximately 170.2 g/mol. It is slightly soluble in water but more soluble in organic solvents like ethanol and acetone. The compound exhibits good stability under normal conditions but can react with strong acids and bases. It is also prone to ring-opening reactions under certain conditions.

How is 7-Methyl-2H-1,4-benzoxazin-3(4H)-one (CAS: 39522-25-3) typically synthesized?

7-Methyl-2H-1,4-benzoxazin-3(4H)-one (CAS: 39522-25-3) can be synthesized via a condensation reaction between a benzoxazine derivative and a methylating agent. Common methods involve the use of methyl iodide and a basic catalyst like sodium hydroxide. The reaction proceeds with high selectivity and yields up to 85% of the desired product.

What industries use 7-Methyl-2H-1,4-benzoxazin-3(4H)-one (CAS: 39522-25-3)?

7-Methyl-2H-1,4-benzoxazin-3(4H)-one (CAS: 39522-25-3) is primarily used in the pharmaceutical and polymer industries. It serves as a key intermediate in the synthesis of various drugs and also acts as a monomer in the production of specialized polymers. Additionally, it finds applications in the development of sensors and as a component in certain semiconductors.

What precautions should be taken when handling 7-Methyl-2H-1,4-benzoxazin-3(4H)-one (CAS: 39522-25-3)?

When handling 7-Methyl-2H-1,4-benzoxazin-3(4H)-one (CAS: 39522-25-3), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or fume hood. Spills should be cleaned up immediately using appropriate absorbents, and the compound should be stored in a cool, dry place away from strong acids and bases. Always consult the Safety Data Sheet (SDS) for detailed safety information.