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3264-21-9

3264-21-9 Structure

3264-21-9 Structure
IdentificationMore
[Name]

1-ACETYLPYRENE
[CAS]

3264-21-9
[Synonyms]

1-ACETYLPYRENE
TIMTEC-BB SBB008456
1-(1-Pyrenyl)ethanone
Ethanone, 1-(1-pyrenyl)-
[Molecular Formula]

C18H12O
[MDL Number]

MFCD00021663
[Molecular Weight]

244.29
[MOL File]

3264-21-9.mol
Chemical PropertiesBack Directory
[Melting point ]

86-89 °C (lit.)
[Boiling point ]

437.7±14.0 °C(Predicted)
[density ]

1.262±0.06 g/cm3(Predicted)
[storage temp. ]

Store at room temperature
[form ]

Liquid
[color ]

Colorless
[InChI]

InChI=1S/C18H12O/c1-11(19)15-9-7-14-6-5-12-3-2-4-13-8-10-16(15)18(14)17(12)13/h2-10H,1H3
[InChIKey]

KCIJNJVCFPSUBQ-UHFFFAOYSA-N
[SMILES]

C(=O)(C1=C2C3=C4C(C=C2)=CC=CC4=CC=C3C=C1)C
[CAS DataBase Reference]

3264-21-9(CAS DataBase Reference)
Safety DataBack Directory
[WGK Germany ]

3
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

1-Acetylpyrene is suitable for use in a comparative study on the photoinitiating efficiency of pyrene, 1-acetylpyrene and 1-(bromoacetyl)pyrene for copolymerization of styrene with acrylonitrile. It may be used in the following studies:
  • As a starting material in the synthesis of ethynlypyrene. 1-(1-chlorovinyl)pyrene was also isolated during this reaction.
  • As a starting material in the synthesis of substituted pyrene derivatives incorporated heterocyclic and sugar moieties.
  • Synthesis of (E)-pyrene oxime ester conjugates of carboxylic acids.
  • Synthesis of tertiary alcohols based on 1-acetylpyrene.
  • Synthesis of (E)-N-[1-(pyren-1-yl)ethylidene]chrysene-2-amine.
  • Synthesis of 3,3-di(methylsulfanyl)-1-(1-pyrenyl)-2-propen-1-one.
[General Description]

1-Acetylpyrene is a pyrene derivative. Its synthesis has been reported. Its phytophysical properties have been studied using absolute fluorescence quantum yield measurement and time-dependent density functional theory (TD-DFT) calculations. Its ability to interact with human cytochromes P450 2A13, 2A6, and 1B1 and enzyme inhibition has been reported. Its function as an environment-sensitive fluorophore has been investigated.
[Synthesis]

Preparation of 1-acetylpyrene: pyrene was mixed with dichloromethane under dry condition according to 1 mmol:10 ml, stirred to dissolve, and anhydrous aluminum trichloride was added under dry condition; acetyl chloride was added into dichloromethane drop
Spectrum DetailBack Directory
[Spectrum Detail]

1-ACETYLPYRENE(3264-21-9)1HNMR
1-ACETYLPYRENE(3264-21-9)IR
1-ACETYLPYRENE(3264-21-9)Raman
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

1-Acetylpyrene, 97%(3264-21-9)
[Sigma Aldrich]

3264-21-9(sigmaaldrich)
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