2-Methyl-4H-3,1-benzoxazin-4-one
- CAS NO.:525-76-8
- Empirical Formula: C9H7NO2
- Molecular Weight: 161.16
- MDL number: MFCD00047647
- EINECS: 208-381-7
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-07-05 11:27:04
What is 2-Methyl-4H-3,1-benzoxazin-4-one?
The Uses of 2-Methyl-4H-3,1-benzoxazin-4-one
2-Methyl-4H-3,1-benzoxazin-4-one is a synthetic antimicrobial agent. It belongs to the quinazolinone class of drugs. It has been shown to be effective against Staphylococcus aureus and other bacteria. Quinazolinones are potent inhibitors of bacterial growth and have been used successfully in the treatment of tuberculosis and other infectious diseases. 2-Methyl-4H-3,1-benzoxazin-4-one has also been shown to inhibit the growth of some Gram-negative bacteria, such as Salmonella typhi and Escherichia coli.
Synthesis Reference(s)
The Journal of Organic Chemistry, 45, p. 363, 1980 DOI: 10.1021/jo01290a038
Synthesis
In 250 mL of RBF took (0.01 mole or 1.37 gm) anthranilic acid (2-amino benzoic acid) to that added 15 mL of acetic anhydride (excess) with porcelain chips. Reflux the solution at 35-40 ℃ for 50-55 min on heating mantle. TLC was done using EA: n-hexane (1:1) solvent system. Then removed the excess solvent (acetic anhydride) at low pressure using rotatory evaporator, To the remaining solid, added petroleum ether (40-60) to extract the 2-methyl-4H-3,1-benzoxazin-4-one. Repeated petroleum ether step to extract the entire product. After drying of petroleum-ether, the crystals of 2-methyl-4H-3, 1-benzoxazin-4-one was obtained and then it was recrystallized with ethanol8. M.P 80-82℃, Yield 79 %.
Properties of 2-Methyl-4H-3,1-benzoxazin-4-one
Melting point: | 79-82 °C(lit.) |
Boiling point: | 144-145 °C(Press: 12 Torr) |
Density | 1.25±0.1 g/cm3(Predicted) |
storage temp. | under inert gas (nitrogen or Argon) at 2-8°C |
pka | 2.84±0.20(Predicted) |
InChI | InChI=1S/C9H7NO2/c1-6-10-8-5-3-2-4-7(8)9(11)12-6/h2-5H,1H3 |
EPA Substance Registry System | 4H-3,1-Benzoxazin-4-one, 2-methyl- (525-76-8) |
Safety information for 2-Methyl-4H-3,1-benzoxazin-4-one
Signal word | Warning |
Pictogram(s) |
Exclamation Mark Irritant GHS07 |
GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P271:Use only outdoors or in a well-ventilated area. P280:Wear protective gloves/protective clothing/eye protection/face protection. P302+P352:IF ON SKIN: wash with plenty of soap and water. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
Computed Descriptors for 2-Methyl-4H-3,1-benzoxazin-4-one
InChIKey | WMQSKECCMQRJRX-UHFFFAOYSA-N |
SMILES | N1C2=CC=CC=C2C(=O)OC=1C |
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