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1-Acetylpyrene

97%

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About This Item

Formule empirique (notation de Hill):
C18H12O
Numéro CAS:
3264-21-9
Poids moléculaire :
244.29
Numéro MDL:
MFCD00021663
Code UNSPSC :
12352100
ID de substance PubChem :
24864377
Nomenclature NACRES :
NA.22

Pureté

97%

Forme

solid

Pf

86-89 °C (lit.)

Chaîne SMILES 

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

Clé InChI

KCIJNJVCFPSUBQ-UHFFFAOYSA-N

Catégories apparentées

Description générale

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.

Code de la classe de stockage

11 - Combustible Solids

Classe de danger pour l'eau (WGK)

WGK 3

Point d'éclair (°F)

Not applicable

Point d'éclair (°C)

Not applicable

Équipement de protection individuelle

Eyeshields, Gloves, type N95 (US)

Certificats d'analyse (COA)

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Consulter la Bibliothèque de documents

Synthesis and study of film-forming properties and light sensitivity of 4-acyloxy-3-methoxy (ethoxy) phenylmethylidene-(chrysen-2-yl) amines.
Dikusar EA, et al.
Russ. J. Gen. Chem., 77(2), 278-281 (2007)
1-(Bromoacetyl) pyrene, a novel photoinitiator for the copolymerization of styrene and acrylonitrile.
Mishra A and Daswal S.
Coll. Polymer Sci., 285(4), 397-404 (2007)
Synthesis and fluorescent properties of 5-(1-pyrenylethynyl)-2'-deoxyuridine-containing oligodeoxynucleotides.
Malakhov AD, et al.
Russian J. Bioorg. Chem., 26(1), 34-44 (2000)
Fundamental photoluminescence properties of pyrene carbonyl compounds through absolute fluorescence quantum yield measurement and density functional theory.
Niko Y, et al.
Tetrahedron, 68(31), 6177-6185 (2012)
Tsutomu Shimada et al.
Chemical research in toxicology, 26(4), 517-528 (2013-02-26)
A total of 68 chemicals including derivatives of naphthalene, phenanthrene, fluoranthene, pyrene, biphenyl, and flavone were examined for their abilities to interact with human P450s 2A13 and 2A6. Fifty-one of these 68 chemicals induced stronger Type I binding spectra (iron
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