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391425

Sigma-Aldrich

1-Acetylpyrene

97%

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About This Item

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

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

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.

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
MKCR8473
MKCD3413
MKCC6226
MKBV8268V
MKBN8167V

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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)
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)
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)
Synthesis, characterization and pharmacological investigations of some novel heterocyclic derivatives incorporating pyrene and sugar moieties.
Khalifa NM, et al.
Research on Chemical Intermediates, 40(4), 1565-1574 (2014)
Tertiary alcohols based on 1-acetylpyrene.
Dikusar EA.
Russ. J. Org. Chem., 43(10), 1492-1494 (2007)
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