54209-84-6

Basic information

• Product Name: 2(3H)-Benzoxazolone, 5-acetyl-
• CAS NO: 54209-84-6
• Molecular Formula: C9H7NO3
• Molecular Weight: 177.159
• Mol File: 54209-84-6.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: 2(3H)-Benzoxazolone, 5-acetyl-(CAS DataBase Reference)
• NIST Chemistry Reference: 2(3H)-Benzoxazolone, 5-acetyl-(54209-84-6)
• EPA Substance Registry System: 2(3H)-Benzoxazolone, 5-acetyl-(54209-84-6)

Safety Data

• Hazardous Substances Data: 54209-84-6(Hazardous Substances Data)

Usage

Family

Benzoxazolone

Derivative

Acetyl group attached to the fifth position of the molecule

Molecular Weight

177.16 g/mol

Usage

Organic synthesis, pharmaceutical research (intermediate for production of pharmaceuticals and agrochemicals), new material development, fluorescent probe in biological studies

Upstream product

• 110-82-7 cyclohexane 
• 114691-94-0 (4-acetylphenoxy)carbonyl azide 
• 75-65-0 tert-butyl alcohol 

Relevant articles and documents

AROYLNITRENES WITH SINGLET GROUND STATES: PHOTOCHEMISTRY OF ACETYL-SUBSTITUTED AROYL AND ARYLOXYCARBONYL AZIDES

The photochemistry of 4-acetylbenzoyl azide (ABA), 4-acetyl-4'-biphenoyl azide (ADA), and 4-acetylphenoxycarbonyl azide (APA) shows unusual wavelength and structrural effects.Irradiation of ABA or ADA into their ?-?* bands with deep-UV light leads to formation of 4-acetylbenzoylnitrene (ABN) and 4-acetyl-4'-biphenylnitrene (ADN), respectively, in competition with photo-Curtis rearrangement to form isocyanates.Irradiation of these azides into their n-?* bands with near-UV light gives only the aroylnitrenes.The triplet excited states of the azides were detected chemically and by transient spectroscopic techniques.Nitrogen loss following near-UV irradiation occurs exclusively from the excited triplet azides.However, the chemical properties of ABN and ADN are consistent only with reactions originating from their singlet states.An ESR spectrum is observed at 8 K for ((4-acetylphenoxy)carbonyl)nitrene (APN) but not for 4-acetylbenzoylnitrene (ABN) of 4-acetyl-4'-biphenylcarbonylnitrene (ADN).The chemical properties of APN in tert-butyl alcohol show that its triplet is no more than 5 kcal/mol below its lowest single state.In contrast, the chemical properties of ABN and ADN indicate that these niterenes have singlet ground states.