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391425 Sigma-Aldrich

1-Acetylpyrene

97%

  • CAS Number 3264-21-9

  • Empirical Formula (Hill Notation) C18H12O

  • Molecular Weight 244.29

  •  MDL number MFCD00021663

  •  PubChem Substance ID 24864377

  •  NACRES NA.22

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Properties

Related Categories Building Blocks, C15 to C38, Carbonyl Compounds, Chemical Synthesis, Ketones,
Quality Level   100
assay   97%
mp   86-89 °C (lit.)
SMILES string   CC(=O)c1ccc2ccc3cccc4ccc1c2c34
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
InChI key   KCIJNJVCFPSUBQ-UHFFFAOYSA-N

Description

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.

Application

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.

Packaging

10 g in glass bottle

Safety & Documentation

Safety Information

Personal Protective Equipment 
RIDADR 
NONH for all modes of transport
WGK Germany 
WGK 3
Flash Point(F) 
Not applicable
Flash Point(C) 
Not applicable

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Protocols & Articles
Peer-Reviewed Papers
15

References

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