1-Phenylbutane-1,3-dione

1-Phenylbutane-1,3-dione Structure
1-Phenylbutane-1,3-dione structure
Common Name 1-Phenylbutane-1,3-dione
CAS Number 93-91-4 Molecular Weight 162.19
Density 1.1±0.1 g/cm3 Boiling Point 262.2±13.0 °C at 760 mmHg
Molecular Formula C10H10O2 Melting Point 54-56 °C(lit.)
MSDS Chinese USA Flash Point 96.9±16.8 °C
Symbol GHS07
GHS07
Signal Word Warning

Synthesis, Characterization and Biological Studies of Metal(II) Complexes of (3E)-3-[(2-{(E)-[1-(2,4-Dihydroxyphenyl) ethylidene]amino}ethyl)imino]-1-phenylbutan-1-one Schiff Base.

Molecules 20 , 9788-802, (2015)

Co(II), Ni(II), Zn(II) and Cu(II) complexes of (3E)-3-[(2-{(E)-[1-(2,4-dihydroxyphenyl)ethylidene]amino}ethyl)imino]-1-phenylbutan-1-one (DEPH2) derived from ethylenediamine, 2',4'-dihydroxyacetophenone and 1-phenylbutane-1,3-dione have been synthesized and c...

Potential anticonvulsants IV: Condensation of isatin with benzoylacetone and isopropyl methyl ketone.

J. Pharm. Sci. 71(9) , 1052-4, (1982)

The sensitive determination of nucleic acids using fluorescence enhancement of Eu3+-benzoylacetone-cetyltrimethylammonium bromide-nucleic acid system.

J. Fluoresc. 15(5) , 655-60, (2005)

A new quantitative method for micro amounts of nucleic acids in aqueous solution is proposed using Eu3+-benzoylacetone (BA) complex as fluorescent probe in the presence of cetyltrimethyl-ammonium bromide (CTMAB). Under the optimum condition, the ratio of the ...

Tautomeric and conformational properties of benzoylacetone, CH3-C(O)-CH2-C(O)-C6H5: gas-phase electron diffraction and quantum chemical study.

J. Phys. Chem. A 116(13) , 3428-35, (2012)

Tautomeric and structural properties of benzoylacetone, CH(3)-C(O)-CH(2)-C(O)-C(6)H(5), have been studied by gas-phase electron diffraction (GED) and quantum chemical calculations (B3LYP and MP2 approximation with different basis sets up to aug-cc-pVTZ). Anal...

On the electronic nature of low-barrier hydrogen bonds in enzymatic reactions.

Proc. Natl. Acad. Sci. U. S. A. 95(22) , 12799-802, (1998)

The electronic nature of low-barrier hydrogen bonds (LBHBs) in enzymatic reactions is discussed based on combined low temperature neutron and x-ray diffraction experiments and on high level ab initio calculations by using the model substrate benzoylacetone. T...

Vibrational assignment and structure of dibenzoylmethane. A density functional theoretical study.

Spectrochim. Acta. A. Mol. Biomol. Spectrosc. 66(2) , 394-404, (2007)

Molecular structure and vibrational frequencies of 1,3-diphenyl-1,3-propanedione, known as dibenzoylmethane (DBM), have been investigated by means of density functional theory (DFT) calculations. The results were compared with those of benzoylacetone (BA) and...

Vibrational assignment and structure of trifluorobenzoylacetone. A density functional theoretical study.

Spectrochim. Acta. A. Mol. Biomol. Spectrosc. 66(3) , 626-36, (2007)

Molecular structure and vibrational frequencies of 4,4,4-trifluoro-1-phenyl-1,3-butanedione, known as trifluorobenzoylacetone (TFBA), have been investigated by means of density functional theory (DFT) calculations. The results were compared with those of benz...

Intramolecular hydrogen bonding (proton transfer) of 1-phenyl-1,3-butanedione.

J. Oleo Sci. 56(12) , 653-8, (2007)

Through the (1)H and (13)C NMR measurements for the symmetrical beta-diketones such as 2,4-pentanedione and 1,3-diphenyl-1,3-propanedione and unsymmetrical one such as 1-phenyl-1,3-butanedione at various concentrations and temperatures, we confirmed that 1-ph...

Single-drop microextraction combined with low-temperature electrothermal vaporization ICPMS for the determination of trace Be, Co, Pd, and Cd in biological samples.

Anal. Chem. 76(10) , 2910-5, (2004)

A new method of single-drop microextraction combined with low-temperature electrothermal vaporization (LTETV)-ICPMS was proposed for the determination of trace Be, Co, Pd, and Cd with benzoylacetone (BZA) as both extractant and chemical modifier. Several fact...

Inhibition by diacylmethane derivatives of mutagenicity in Salmonella typhimurium and tRNA-binding of chemical carcinogens.

Mutat. Res. 262(3) , 189-93, (1991)

Effects of diacylmethanes on the mutagenicity of 2-naphthohydroxamic acid, methylnitrosourea, benzo[a]pyrene and aflatoxin B1 in S. typhimurium and the tRNA binding by benzo[a]pyrene and aflatoxin B1 were investigated. Acetylacetone, benzoylacetone and dibenz...