5315-79-7

Product Name1-Hydroxypyrene
Purity99%

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Product Details

Quick Details

CasNo： 5315-79-7
Purity： 99%

5315-79-7 Properties

Molecular Formula:C16H10O
Molecular Weight:218.255
Appearance/Colour:Pale Yellow Solid
Vapor Pressure:2.92E-08mmHg at 25°C
Melting Point:179-182 °C(lit.)
Refractive Index:1.895
Boiling Point:437.4 °C at 760 mmHg
PKA:9.40±0.30(Predicted)
Flash Point:213 °C
PSA：20.23000
Density:1.36 g/cm³
LogP:4.28960

5315-79-7 Usage

Chemical Properties

Pale Yellow Solid

Uses

Found in humane urine after exposure to coal tar and a coal derived product.

Uses

1-Hydroxypyrene is suitable for use in following studies:To investigate the fast detection and quantification of 1-hydroxypyrene in tissue extracts from Nereis diversicolor exposed to sediment-associated pyrene by a simple fluorometric method.To investigate the effects of genetic polymorphisms of the cytochrome P450 1A1 (CYP1A1) and 2E1 (CYP2E1) and glutathione S-transferases mu (GSTM1) and theta (GSTT1) on urinary 1-hydroxypyrene and 2-naphthol levels in aircraft maintenance workers.To examine the the PAH exposure of cokery workers in an Estonian oil shale processing plant.

Uses

Found in humane urine after exposure to coal tar and a coal derived product

InChI:InChI=1/C16H10O/c17-14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-9,17H

5315-79-7 Relevant articles

Photo-Fries rearrangement of 1-pyrenyl esters

Maeda, Hajime,Akai, Tomomi,Segi, Masahito

supporting information, p. 4377 - 4380 (2017/10/23)

Photo-Fries rearrangement reactions of 1-pyrenyl esters were investigated. Photoreaction of 1-pyrenyl benzoate in benzene generates 1-hydroxy-2-pyrenyl phenyl ketone along with 1-pyrenol. The exceptionally down field 1H NMR chemical shift of OH proton in the photoproduct indicates the existence of intramolecular hydrogen bonding. Photorearrangements of analogs that have electron-withdrawing or electron-releasing group on the phenyl ring, and related heteroaromatic carboxylates also take place to form the corresponding ketones. However, photoreactions of 1-pyrenyl aliphatic carboxylate esters do not occur. The results of spectroscopic and theoretical studies suggest the mechanistic pathway for this process is initiated by homolytic C–O bond cleavage in an aroyl group localized 1(π → π?) excited state of the 1-pyrenyl esters. The radical pair generated in this fashion then undergoes in-solvent-cage coupling to yield the 1-hydroxy-2-pyrenyl aryl ketone selectively.

5315-79-7 Process route

: pyren-1-yl benzoate

: 5315-79-7
1-hydroxypyrene

: 1-hydroxy-2-pyrenyl phenyl ketone

: 65-85-0,8013-63-6
benzoic acid

Conditions

Conditions	Yield
In benzene; at 20 ℃; for 2h; regioselective reaction; Inert atmosphere; Sealed tube; Irradiation;	46% 14% 15%

: pyren-1-yl benzoate

: 5315-79-7
1-hydroxypyrene

: 1-hydroxy-2-pyrenyl phenyl ketone

Conditions

Conditions	Yield
In acetone; at 20 ℃; for 2h; regioselective reaction; Inert atmosphere; Sealed tube; Irradiation;	61% 12%
In benzene; at 20 ℃; for 4h; Solvent; Time; regioselective reaction; Inert atmosphere; Sealed tube; Irradiation;	42% 18%