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ChemicalBook--->CAS DataBase List--->538-58-9

538-58-9

538-58-9 Structure

538-58-9 Structure
IdentificationMore
[Name]

DIBENZYLIDENEACETONE
[CAS]

538-58-9
[Synonyms]

1,5-DIPHENYL-1,4-PENTADIEN-3-ONE
1,5-DIPHENYL-3-PENTADIENONE
1,5-DIPHENYL-PENTA-1,4-DIEN-3-ONE
AKOS 213-33
DBA
DIBENZAL ACETONE
DIBENZYLIDENEACETONE
DISTYRYL KETONE
TRANS,TRANS-1,5-DIPHENYL-1,4-PENTADIEN-3-ONE
TRANS,TRANS-1,5-DIPHENYLPENTA-1,4-DIEN-3-ONE
TRANS,TRANS-DIBENZALACETONE
TRANS,TRANS-DIBENZYLIDENEACETONE
TRANS,TRANS-DISTYRYL KETONE
(1E,4E)-1,5-Diphenyl-1,4-pentadien-3-one
1,4-Pentadien-3-one, 1,5-diphenyl-
1,5-Diphenyl-1,4-pentadiene-3-one
1,5-diphenyl-4-pentadien-3-one
Bis(2-phenylvinyl) ketone
Styrol ketone
1,5-Diphenyl-3-Pentadieneone
[EINECS(EC#)]

208-697-5
[Molecular Formula]

C17H14O
[MDL Number]

MFCD00004790
[Molecular Weight]

234.29
[MOL File]

538-58-9.mol
Chemical PropertiesBack Directory
[Appearance]

yellow powder
[Melting point ]

107-113 °C
[Boiling point ]

336.62°C (rough estimate)
[density ]

1.0477 (rough estimate)
[refractive index ]

1.5000 (estimate)
[storage temp. ]

0-6°C
[form ]

solid
[color ]

yellow
[Stability:]

Stable. Incompatible with strong oxidizing agents. Combustible.
[InChIKey]

WMKGGPCROCCUDY-UHFFFAOYSA-N
[CAS DataBase Reference]

538-58-9(CAS DataBase Reference)
[EPA Substance Registry System]

1,4-Pentadien-3-one, 1,5-diphenyl- (538-58-9)
Safety DataBack Directory
[Safety Statements ]

S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
[WGK Germany ]

3
[HS Code ]

2914790090
Hazard InformationBack Directory
[Chemical Properties]

yellow powder
[Uses]

Dibenzylideneacetone is used as a ligand to prepare palladium catalysts, which are widely used in catalytic hydrogenation, coupling, carbonylation, alkyne ring trimerization, etc.
[Preparation]

Dibenzylideneacetone is obtained by the reaction of benzaldehyde and acetone. The reaction was carried out in aqueous ethanol solution at a reaction temperature of 20-25°C with a yield of 78%.
[Synthesis Reference(s)]

Chemistry Letters, 9, p. 51, 1980
The Journal of Organic Chemistry, 45, p. 3840, 1980 DOI: 10.1021/jo01307a022
Organic Syntheses, Coll. Vol. 2, p. 167, 1943
[Purification Methods]

Crystallise the ketone from hot ethyl acetate (2.5mL/g) or EtOH. [Beilstein 7 IV 1747.]
Spectrum DetailBack Directory
[Spectrum Detail]

DIBENZYLIDENEACETONE(538-58-9)MS
DIBENZYLIDENEACETONE(538-58-9)1HNMR
DIBENZYLIDENEACETONE(538-58-9)13CNMR
DIBENZYLIDENEACETONE(538-58-9)IR1
DIBENZYLIDENEACETONE(538-58-9)IR2
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

538-58-9(sigmaaldrich)
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