| Identification | More | [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 Properties | Back 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) |
| Hazard Information | Back 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 |
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