142719
Phenyl benzoate
99%
Synonym(s):
Benzoic acid phenyl ester
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About This Item
Linear Formula:
C6H5CO2C6H5
CAS Number:
Molecular Weight:
198.22
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
202-293-2
Beilstein/REAXYS Number:
1566346
MDL number:
Assay:
99%
Form:
solid
Quality Level
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
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.
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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signalword
Warning
hcodes
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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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
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)
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