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1,5-Diphenylpenta-1,4-dien-3-one
Catalog Number
ACM538589
Product Name
1,5-Diphenylpenta-1,4-dien-3-one
Structure
![{[CurrentData.Name]}](https://resource.alfachemic.com/structure/538-58-9.gif)
CAS
538-58-9
Synonyms
Dibenzylideneacetone; 1,5-Diphenyl-3-pentadienone
IUPAC Name
(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one
Molecular Weight
234.29
Molecular Formula
C17H14O
Canonical SMILES
C1=CC=C(C=C1)C=CC(=O)C=CC2=CC=CC=C2;
InChI
WMKGGPCROCCUDY-PHEQNACWSA-N
InChI Key
InChI=1S/C17H14O/c18-17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16/h1-14H/b13-11+,14-12+
Boiling Point
400.7 °C at 760 mmHg
Melting Point
107-113 °C
Purity
98%
Appearance
Solid
Storage
0-6°C
Complexity
272
Covalently-Bonded Unit Count
1
Defined Bond Stereocenter Count
2
EC Number
208-697-5
Exact Mass
234.104g/mol
H-Bond Acceptor
1
Heavy Atom Count
18
Isomeric SMILES
C1=CC=C(C=C1)/C=C/C(=O)/C=C/C2=CC=CC=C2
Monoisotopic Mass
234.104g/mol
NSC Number
623642
Rotatable Bond Count
4
Topological Polar Surface Area
17.1A^2
UNII
9QXO7BCY9L
Application
1,5-Diphenylpenta-1,4-dien-3-one is a versatile compound that serves as a key ligand in the preparation of palladium catalysts, which play a crucial role in various chemical reactions. These catalysts are integral to processes such as catalytic hydrogenation, coupling, carbonylation, and alkyne ring trimerization. The compound is characterized by its crystalline form, with different isomers having specific melting and boiling points, and it is soluble in various organic solvents including ethanol, acetone, and chloroform, though it remains insoluble in water.
April 18, 2025
Excellent Reagent for Catalysis Research
I used 1,5-Diphenylpenta-1,4-dien-3-one from Alfa Chemistry in my research on palladium-catalyzed reactions. This compound reliably assisted in catalytic hydrogenation, proving essential for our lab's ongoing studies. Highly recommend it for similar applications.
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