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Home > Encyclopedia > 1,4-Diethyl 2-oxo-3-phenylbutanedioate

1,4-Diethyl 2-oxo-3-phenylbutanedioate

1,4-Diethyl 2-oxo-3-phenylbutanedioate structure

1,4-Diethyl 2-oxo-3-phenylbutanedioate 

structure
  • CAS No:

    7147-33-3

  • Formula:

    C14H16O5

  • Chemical Name:

    1,4-Diethyl 2-oxo-3-phenylbutanedioate

  • 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

1,4-Diethyl 2-oxo-3-phenylbutanedioate Basic Attributes

264.277

264.27

615-295-7

25342

DTXSID00282283

Characteristics

69.67000

1.46550

1.168g/cm3

367.6ºC at 760 mmHg

161ºC

1.505

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

Methods of 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

Uses

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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