424773
4-Benzylidene-2-phenyl-2-oxazolin-5-one
≥99%
Synonym(s):
(Z)-4-Benzylidene-2-phenyloxazolin-5-one, (Z)-4-benzylidene-2-phenyloxazol-5(4H)-one, 4-Benzylidene-2-phenyl-5(4H)-oxazolone
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About This Item
Empirical Formula (Hill Notation):
C16H11NO2
CAS Number:
Molecular Weight:
249.26
UNSPSC Code:
12352100
PubChem Substance ID:
MDL number:
Assay:
≥99%
InChI
1S/C16H11NO2/c18-16-14(11-12-7-3-1-4-8-12)17-15(19-16)13-9-5-2-6-10-13/h1-11H/b14-11-
SMILES string
O=C1OC(=N\C1=C/c2ccccc2)c3ccccc3
InChI key
VFDOKJVMHZUBTN-KAMYIIQDSA-N
assay
≥99%
mp
165-167 °C (lit.)
General description
4-Benzylidene-2-phenyl-2-oxazolin-5-one (4-benzal-2-phenyl-5-oxazolone) is an azlactone. The absolute configuration of the geometric isomers of 4-benzylidene-2-phenyl-2-oxazolin-5-one have been determined by NMR spectroscopy. It undergoes two primary photochemical processes, geometric isomerization and hydrogen abstraction from solvent.
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
Regulatory Information
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Unsaturated lactone photochemistry. Effect of wavelength and sensitizer structure on selective population of specific excited states.
Ullman EF and Baumann N.
Journal of the American Chemical Society, 92(20), 5892-5899 (1970)
The geometrical isomers of 4-benzylidene-2-phenyl-2-oxazolin-5-one: determination of absolute configurations by nuclear magnetic resonance spectroscopy.
Brocklehurst K, et al.
Chemical Communications (Cambridge, England), 15, 884-886 (1968)
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