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33790

Sigma-Aldrich

1,3-Diphenyl-2-propanone

purum, ≥98.0% (GC)

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Synonym(s):
1,3-Diphenylacetone, Dibenzyl ketone
Linear Formula:
(C6H5CH2)2CO
CAS Number:
102-04-5
Molecular Weight:
210.27
Beilstein:
974767
EC Number:
203-000-0
MDL number:
MFCD00004795
UNSPSC Code:
12352100
PubChem Substance ID:
329754654

grade

purum

Quality Level

100

Assay

≥98.0% (GC)

form

solid

bp

330 °C (lit.)

mp

32-34 °C (lit.)
32-34 °C

storage temp.

2-8°C

SMILES string

O=C(Cc1ccccc1)Cc2ccccc2

InChI

1S/C15H14O/c16-15(11-13-7-3-1-4-8-13)12-14-9-5-2-6-10-14/h1-10H,11-12H2

InChI key

YFKBXYGUSOXJGS-UHFFFAOYSA-N

Gene Information

human ... EPHX2(2053)
mouse ... Ephx2(13850)

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General description

1,3-Diphenyl-2-propanone is metabolite of α-benzyl-N-methylphenethylamine (BNMPA), an impurity of illicit methamphetamine synthesis. 1,3-Diphenyl-2-propanone undergoes α-ethylation with ethyl iodide and sodium ethoxide to yield 1,3-dipenyl-propene. 1,3-Diphenyl-2-propanone undergoes condensation with acetic acid to yield 2,6-dimethyl-3,5-diphenylpyran-4-one.

Application

1,3-Diphenyl-2-propanone was used in the preparation of isomeric pyranones via condensation with propionic acid.

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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cis-and trans-1, 3-Diphenylpropene.
Raunio EK and Bonner WA.
The Journal of Organic Chemistry, 31(2), 396-399 (1966)
Notes-Isomeric Pyranones from Condensation of Propionic Acid with 1, 3-Diphenyl-2-propanone.
Letsinger R and Kolewe O.
The Journal of Organic Chemistry, 26(8), 2993-2994 (1961)
K A Moore et al.
Journal of analytical toxicology, 19(7), 542-548 (1995-11-01)
alpha-Benzyl-N-methylphenethylamine (BNMPA) is an impurity of illicit methamphetamine synthesis. We synthesized BNMPA and three of its anticipated metabolites: N-demethyl-alpha-benzyl-phenethylamine, 1,3-diphenyl-2-propanone, and 1,3-diphenyl-2-propanol. The purity and structure of these compounds and their heptafluorobutyric anhydride (HFBA) derivatives were confirmed by melting point

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