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3-Methyl-1,4-benzoxazin-2-one

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Identification
Molecular formula
C9H9NO2
CAS number
3092-84-2
IUPAC name
3-methyl-1,4-benzoxazin-2-one
State
State
At room temperature, 3-Methyl-1,4-benzoxazin-2-one is in a solid state, typically used in chemical research and pharmaceutical applications due to its specific functional properties as a heterocyclic compound.
Melting point (Celsius)
91.00
Melting point (Kelvin)
364.15
Boiling point (Celsius)
443.00
Boiling point (Kelvin)
716.15
General information
Molecular weight
161.17g/mol
Molar mass
161.1670g/mol
Density
1.2357g/cm3
Appearence
3-Methyl-1,4-benzoxazin-2-one appears as a white to off-white crystalline powder. It typically has a consistent crystalline structure, which contributes to its stability and purity in applications requiring precise measurements.
Comment on solubility

Solubility of 3-methyl-1,4-benzoxazin-2-one

3-methyl-1,4-benzoxazin-2-one, also known as DIMBOA, displays noteworthy solubility characteristics that are crucial for its applications.

The solubility of this compound can be influenced by several factors:

  • Polarity: Due to its aromatic and heterocyclic structure, the compound possesses both polar and non-polar regions.
  • Solvent Interaction: 3-methyl-1,4-benzoxazin-2-one is generally more soluble in polar solvents such as water and ethanol compared to non-polar solvents.
  • Temperature Effects: Increased temperature can enhance solubility, enabling better dissolution in solvents.

To summarize, while solubility may vary based on environmental conditions and the solvent used, 3-methyl-1,4-benzoxazin-2-one is certainly considered a compound with significant solubility potential in various applications.

Interesting facts

Interesting Facts about 3-methyl-1,4-benzoxazin-2-one

3-methyl-1,4-benzoxazin-2-one is a fascinating compound that belongs to a class of molecules known as benzoxazines. Here are some interesting insights about this compound:

  • Natural Occurrence: This compound can be found in nature, particularly in a family of plants like Zea mays (corn). It plays a role in plant defense mechanisms against herbivores and pathogens, showcasing the importance of secondary metabolites in the ecosystem.
  • Biological Activity: 3-methyl-1,4-benzoxazin-2-one exhibits a range of biological properties. It has been studied for its potential anti-cancer and anti-inflammatory activities, making it a subject of significant interest for medicinal chemistry.
  • Antioxidant Properties: The compound is recognized for its antioxidant capabilities, which help in neutralizing free radicals in biological systems, thus contributing to the potential prevention of oxidative stress-related diseases.
  • Usage in Agriculture: Due to its role in plant defense, derivatives of 3-methyl-1,4-benzoxazin-2-one are explored for use as natural pesticides. This method aligns with sustainable agricultural practices by reducing the reliance on synthetic chemicals.
  • Research Potential: Ongoing research focuses on synthesizing analogs of this compound to enhance its bioactivity. Chemists are eager to explore modifications to optimize its properties for therapeutic applications.
  • Chemical Versatility: The structure of 3-methyl-1,4-benzoxazin-2-one provides a versatile framework for further modifications in organic synthesis, making it a valuable building block for designing new compounds.

In summary, 3-methyl-1,4-benzoxazin-2-one not only embodies intriguing chemical properties but also illustrates the intersection of chemistry with agriculture and medicine. It is a prime example of how studying a compound's natural role can lead to innovative applications in both science and industry.

Synonyms
3-Methyl-2H-1,4-benzoxazin-2-one
7653-60-3
3-methyl-1,4-benzoxazin-2-one
2H-1,4-BENZOXAZIN-2-ONE, 3-METHYL-
BRN 1073158
CHEMBL1552794
SCHEMBL17536884
DTXSID20227338
3-methylbenz[b][1,4]oxazin-2-one
AB09692
NCGC00161162-01
3-Methyl-2H-benzo[b][1,4]oxazin-2-one
10.14272/PEEMVDRTQBESEN-UHFFFAOYSA-N
10.14272/PEEMVDRTQBESEN-UHFFFAOYSA-N.1
doi:10.14272/PEEMVDRTQBESEN-UHFFFAOYSA-N
doi:10.14272/PEEMVDRTQBESEN-UHFFFAOYSA-N.1