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HomeProduct name list2H-1,4-BENZOXAZIN-3(4H)-ONE

2H-1,4-BENZOXAZIN-3(4H)-ONE

2H-1,4-BENZOXAZIN-3(4H)-ONE Structural

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)
ghs
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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