391425

1-Acetylpyrene

97%

• Empirical Formula (Hill Notation): C₁₈H₁₂O
• CAS Number: 3264-21-9
• Molecular Weight: 244.29
• MDL number: MFCD00021663
• UNSPSC Code: 12352100
• PubChem Substance ID: 24864377
• NACRES: NA.22

Properties

• Quality Level: 100
• assay: 97%
• form: solid
• mp: 86-89 °C (lit.)
• functional group: ketone
• 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.

Safety Information

• Storage Class: 11 - Combustible Solids
• wgk_germany: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable
• ppe: Eyeshields, Gloves, type N95 (US)