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

2H-1,4-BENZOXAZIN-3(4H)-ONE
  • CAS No.:5466-88-6
Other grades of this product :
2H-1,4-BENZOXAZIN-3(4H)-ONE Basic information
Product Name:2H-1,4-BENZOXAZIN-3(4H)-ONE
Synonyms:4H-BENZO[1,4]OXAZIN-3-ONE;4-AZA-3-CHROMANONE;2H-1,4-BENZOXAZIN-3(4H)-ONE;2H-1,4-BENZOXAZINE-3(4H)-ONE;2H-BENZO[B][1,4]OXAZIN-3(4H)-ONE;OTAVA-BB BB7020041238;BENZO[B]MORPHOLIN-3-ONE;AURORA KA-5421
CAS:5466-88-6
MF:C8H7NO2
MW:149.15
EINECS:
Product Categories:pharmacetical;API intermediates;Miscellaneous;Benzoxazines;Building Blocks;Heterocyclic Building Blocks
Mol File:5466-88-6.mol
2H-1,4-BENZOXAZIN-3(4H)-ONE Chemical Properties
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
pka12.89±0.20(Predicted)
form Flakes or Powder
color White to yellow to tan
λmax286nm(EtOH)(lit.)
CAS DataBase Reference5466-88-6(CAS DataBase Reference)
Safety Information
Hazard Codes Xi
Risk Statements 36/37/38
Safety Statements 26-36-37/39
WGK Germany 3
RTECS DM3270000
HazardClass IRRITANT
HS Code 29349990
MSDS Information
ProviderLanguage
SigmaAldrich English
ACROS English
2H-1,4-BENZOXAZIN-3(4H)-ONE Usage And Synthesis
Chemical Propertieswhite to almost white crystalline powder
Uses2H-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 Description2H-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.

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