1,4-Diethyl 2-oxo-3-phenylbutanedioate
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1,4-Diethyl 2-oxo-3-phenylbutanedioate
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CAS No:
7147-33-3
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Formula:
C14H16O5
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Chemical Name:
1,4-Diethyl 2-oxo-3-phenylbutanedioate
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Synonyms:
Butanedioic acid,2-oxo-3-phenyl-,1,4-diethyl ester;Butanedioic acid,oxophenyl-,diethyl ester;1,4-Diethyl 2-oxo-3-phenylbutanedioate;NSC 25342;111751-69-0
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CAS No:
1,4-Diethyl 2-oxo-3-phenylbutanedioate Basic Attributes
264.277
264.27
615-295-7
25342
DTXSID00282283
Safety Information
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
1,4-Diethyl 2-oxo-3-phenylbutanedioate Use and Manufacturing
It is first hydrolyzed with phenylacetamide and then esterified with ethanol under sulfuric acid catalysis to generate ethyl phenylacetate. The latter and diethyl oxalate are condensed with the participation
Phenobarbital intermediate.
Computed Properties
Molecular Weight:264.27
XLogP3:2.4
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:8
Exact Mass:264.09977361
Monoisotopic Mass:264.09977361
Topological Polar Surface Area:69.7
Heavy Atom Count:19
Complexity:331
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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