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142719

Phenyl benzoate

Name: Phenyl benzoate
Brand: ALDRICH

99%

Synonym(s):

Benzoic acid phenyl ester

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About This Item

Linear Formula:

C₆H₅CO₂C₆H₅

CAS Number:

93-99-2

Molecular Weight:

198.22

UNSPSC Code:

12352100

NACRES:

NA.22

PubChem Substance ID:

24848534

EC Number:

202-293-2

Beilstein/REAXYS Number:

1566346

MDL number:

MFCD00003072

Assay:

99%

Form:

solid

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Properties

Quality Level

100

assay

99%

form

solid

bp

298-299 °C (lit.)

mp

68-70 °C (lit.)

solubility

alcohol: freely soluble (hot), diethyl ether: slightly soluble, water: insoluble

functional group

ester, phenoxy, phenyl

SMILES string

O=C(Oc1ccccc1)c2ccccc2

InChI

1S/C13H10O2/c14-13(11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1-10H

InChI key

FCJSHPDYVMKCHI-UHFFFAOYSA-N

Description

General description

Phenyl benzoate is a phenyl ester of benzoic acid. Crystal structure of phenyl benzoate has been determined from 844 microdensitometer-measured intensities. All bond lengths and angles were reported to be normal. Phenyl benzoate undergoes Fries rearrangement catalyzed by heteropoly acids to yield the acylated phenols and esters.

Phenyl benzoate serves as a precursor that undergoes the intramolecular biaryl coupling reaction to produce the intermediate for the synthesis of (−)-steganone.

Application

Phenyl benzoate was used in the synthesis of soluble polyimides using dianhydride/diamine derivatives.

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pictograms

GHS07

signalword

Warning

hcodes

H302,H315

pcodes

P264 - P270 - P280 - P301 + P312 - P302 + P352 - P332 + P313

Hazard Classifications

Acute Tox. 4 Oral - Skin Irrit. 2

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves

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Articles

Fries Rearrangement

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Fries重排

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Intramolecular biaryl coupling reaction of benzyl benzoate and phenyl benzoate derivatives, and its application to the formal synthesis of (-)-steganon

Takeda S, et al.

Tetrahedron, 63, 396-408 (2007)

Discrimination of skin sensitizers from non-sensitizers by interleukin-1α and interleukin-6 production on cultured human keratinocytes.

Daun Jung et al.

Journal of applied toxicology : JAT, 36(9), 1129-1136 (2015-12-23)

In vitro testing methods for classifying sensitizers could be valuable alternatives to in vivo sensitization testing using animal models, such as the murine local lymph node assay (LLNA) and the guinea pig maximization test (GMT), but there remains a need

Pd-Catalyzed Decarbonylative C-H Coupling of Azoles and Aromatic Esters.

Kaoru Matsushita et al.

Chemistry, an Asian journal, 13(17), 2393-2396 (2018-05-03)

A decarbonylative C-H coupling of azoles and aromatic esters by palladium catalysis is described. Our previously reported Ni-catalyzed C-H coupling of azoles and aromatic esters has a significant drawback regarding the substrate scope. Herein, we employ palladium catalysis instead of

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Global Trade Item Number

SKU	GTIN
374687-1G	04061826696330
142719-100G	04061838734440
142719-5G	04061838734457