33790
1,3-Diphenyl-2-propanone
purum, ≥98.0% (GC)
Synonym(s):
1,3-Diphenylacetone, Dibenzyl ketone
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About This Item
Linear Formula:
(C6H5CH2)2CO
CAS Number:
Molecular Weight:
210.27
EC Number:
203-000-0
UNSPSC Code:
12352100
PubChem Substance ID:
Beilstein/REAXYS Number:
974767
MDL number:
Assay:
≥98.0% (GC)
Form:
solid
grade
purum
Quality Level
assay
≥98.0% (GC)
form
solid
bp
330 °C (lit.)
mp
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)
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.
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Storage Class
13 - Non Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
Eyeshields, Gloves, type N95 (US)
Regulatory Information
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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
cis-and trans-1, 3-Diphenylpropene.
Raunio EK and Bonner WA.
The Journal of Organic Chemistry, 31(2), 396-399 (1966)