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Merck
CN

389439

1-Pyrenemethanol

98%

Synonym(s):

1-(1-Hydroxymethyl)pyrene, 1-Hydroxymethylpyrene

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About This Item

Empirical Formula (Hill Notation):
C17H12O
CAS Number:
Molecular Weight:
232.28
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
MDL number:
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Product Name

1-Pyrenemethanol, 98%

InChI

1S/C17H12O/c18-10-14-7-6-13-5-4-11-2-1-3-12-8-9-15(14)17(13)16(11)12/h1-9,18H,10H2

SMILES string

OCc1ccc2ccc3cccc4ccc1c2c34

InChI key

NGDMLQSGYUCLDC-UHFFFAOYSA-N

assay

98%

form

solid

mp

123-126 °C (lit.)

functional group

hydroxyl

Quality Level

Application

1-Pyrenemethanol can be used:
  • For the synthesis of pincer-like benzene-bridged fluorescent selective sensor for adenosine-5′-triphosphate (ATP) detection.
  • As a starting material for the synthesis of pyrene-end poly(glycidyl methacrylate) polymer.
  • As an initiator for the synthesis of pyrene core star polymers.
  • For the synthesis of 1-pyrenecarboxaldehyde, an important intermediate in pharmaceutical and agrochemical fields.

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves, type N95 (US)


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Y J Surh et al.
Carcinogenesis, 11(9), 1451-1460 (1990-09-01)
Our previous studies on 7-hydroxymethyl-12-methylbenz[a]anthracene and 6-hydroxymethylbenzo[a]pyrene showed that cytosolic sulfotransferase activity plays a major role in the formation of hepatic benzylic DNA and RNA adducts by these carcinogens in rats. In the present study, we found similar sulfotransferase activity
H Glatt et al.
Chemico-biological interactions, 92(1-3), 305-319 (1994-06-01)
1-Hydroxymethylpyrene (HMP) is activated to a potent mutagen, detectable in Salmonella typhimurium, in the presence of hepatic cytosol, cofactor for sulfotransferases, and chloride anions. The number of induced mutations is linear to the amount of cytosol used over a wide
Highly efficient oxidation of alcohols to carbonyl compounds in the presence of molecular oxygen using a novel heterogeneous ruthenium catalyst.
Ji H, et al.
Tetrahedron Letters, 43(40), 7179-7183 (2002)
Walter Meinl et al.
Pharmacogenetics, 12(9), 677-689 (2002-12-05)
Various enzymatically formed sulfuric acid esters are chemically reactive and mutagenic. This metabolic activation pathway is not detected in standard in-vitro mutagenicity test systems. We describe the construction of Salmonella typhimurium TA1538-derived strains expressing alloenzymes *1, *2, *3, *5, *6
H Glatt et al.
Chemico-biological interactions, 109(1-3), 195-219 (1998-05-05)
Sulfation is a common final step in the biotransformation of xenobiotics and is traditionally associated with inactivation. However, the sulfate group is electron-withdrawing and may be cleaved off heterolytically in some molecules leading to electrophilic cations which may form adducts

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