2H-1,4-BENZOXAZIN-3(4H)-ONE
- CAS NO.：5466-88-6
- Empirical Formula: C8H7NO2
- Molecular Weight: 149.15
- MDL number: MFCD00158536
- SAFETY DATA SHEET (SDS)
- Update Date: 2023-04-23 13:52:06
What is 2H-1,4-BENZOXAZIN-3(4H)-ONE?
Chemical properties
white to almost white crystalline powder
The Uses of 2H-1,4-BENZOXAZIN-3(4H)-ONE
2H-1,4-Benzoxazin-3-one is used to prepare benzoxazinone/benzothiazinone analogs of fluconazole with antifungal and anti-Candida activities. It is used to synthesize 1,?4-?benzoxazine derivatives with vasorelaxant activities.
Synthesis Reference(s)
Synthesis, p. 851, 1984 DOI: 10.1055/s-1984-30993
General Description
2H-1,4-Benzoxazin-3(4H)-one, a benzoxazine derivative, is a heterocyclic building block for various natural and synthetic organic compounds. It has been reported as an intermediate during the biogenesis of cyclic hydoxamic acids in maize. Its standard molar enthalpy of formation and tautomerization energy of its tautomers has been evaluated by calorimetric and computational methods. It has been synthesized by reacting o-aminophenol with chloroacetyl chloride in the presence of butanone and aqueous NaHCO3.
Properties of 2H-1,4-BENZOXAZIN-3(4H)-ONE
| Melting point: | 173-175 °C(lit.) |
| Boiling point: | 337.7±31.0 °C(Predicted) |
| Density | 1.244±0.06 g/cm3(Predicted) |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | methanol: soluble25mg/mL, clear, colorless |
| form | Flakes or Powder |
| pka | 12.89±0.20(Predicted) |
| color | White to yellow to tan |
| λmax | 286nm(EtOH)(lit.) |
| CAS DataBase Reference | 5466-88-6(CAS DataBase Reference) |
Safety information for 2H-1,4-BENZOXAZIN-3(4H)-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 2H-1,4-BENZOXAZIN-3(4H)-ONE
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