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Assay
≥98.0% (T)
mp
107-109 °C
SMILES string
O=C(CC(=O)c1ccccc1)CC(=O)c2ccccc2
InChI
1S/C17H14O3/c18-15(11-16(19)13-7-3-1-4-8-13)12-17(20)14-9-5-2-6-10-14/h1-10H,11-12H2
InChI key
MUNGMRPYTCHBFX-UHFFFAOYSA-N
General description
1,5-Diphenyl-1,3,5-pentanetrione (H2DBA, DBAc) is a symmetrical triketone.1,3,5-triketones are potential tridentate ligands and forms complexes with transition metals, lanthanides and actinides. It acts as ligand and forms binuclear cobalt complex with CoCl2.6H2O. The interaction of two intramolecular hydrogen bonds in 1,5-diphenyl-1,3,5-pentanetrione has been studied. H2DBA can be synthesized by condensation reaction between ethyl benzoate and benzoyl acetone. DBAc arranged in stretched polyethylene (PE) sheets has been investigated by infrared linear dichroism (LD) spectroscopy.
Other Notes
Versatile triketone, used e.g. for the synthesis of heterocyclic compounds; Preparation of complexes with transition metals
WGK
WGK 3
Flash Point(F)
Not applicable
Flash Point(C)
Not applicable
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
Certificates of Analysis (COA)
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Electronic states of 1, 6, 6aλ4-trithiapentalene and its 2,5-dimethyl and 2,5-diphenylderivatives. Ultraviolet-visible linear dichroism spectroscopy and time-dependent density functional theory calculations.
Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy, 58(10), 2245-2255 (2002)
Infrared linear dichroism on 1,5-diphenyl-1,3,5-pentanetrione aligned in stretched polyethylene.
Acta Chemica Scandinavica, 52, 1171-1176 (1998)
Some novel triorganotin(IV) derivatives of β,δ-triketones.
Polyhedron, 2(9), 907-916 (1983)
Structure and magnetism of a binuclear 1, 3, 5-triketonate complex of cobalt (II), bis (1, 5-diphenyl-1, 3, 5-pentanetrionate) tetrapyridinedicobalt (II) tetrapyridine.
Inorganic Chemistry, 12(6), 1297-1303 (1973)
Mutual influence of two intramolecular hydrogen bonds in 1, 3, 5-triketones.
Journal of Molecular Structure, 195, 343-349 (1989)
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