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2,2-bis(benzyl)-1,3-dithiolane
1,3-Diphenylpropanone
Conditions | Yield |
---|---|
With trichloroisocyanuric acid; silver nitrate In water; acetonitrile Ambient temperature; | 99% |
With (CH3)3CI; dimethyl sulfoxide for 12h; | 95% |
With trimethylsilyl iodide; dimethyl sulfoxide In tetrachloromethane at 75 - 80℃; for 6h; | 85% |
With hydrogenchloride; dihydrogen peroxide In methanol Ambient temperature; | 81% |
1,3-Diphenylpropanone
Conditions | Yield |
---|---|
With 2,3-dicyano-5,6-dichloro-p-benzoquinone In acetonitrile at 20 - 25℃; for 2h; Irradiation; | 98% |
Conditions | Yield |
---|---|
With chloral hydrate In hexane at 25℃; for 5h; Inert atmosphere; | 98% |
Conditions | Yield |
---|---|
With copper(II) sulfate In tetrahydrofuran; methanol; water for 4h; Heating; | 95% |
1,3-Diphenylpropanone oxime O-acetate
1,3-Diphenylpropanone
Conditions | Yield |
---|---|
Stage #1: 1,3-Diphenylpropanone oxime O-acetate With dicobalt octacarbonyl; triethylamine In diethyl ether at 20℃; for 0.25h; deoximation; Stage #2: With water In methanol at 20℃; for 0.5h; Hydrolysis; | 93% |
With diiron nonacarbonyl In methanol at 60℃; for 1h; Product distribution; Fe(CO)5, UV irradiation; | 82% |
1,3-diphenylacetone N,N-dimethylhydrazone
1,3-Diphenylpropanone
Conditions | Yield |
---|---|
With dihydrogen peroxide; methyltrioxorhenium(VII) In acetic acid; acetonitrile at 0 - 20℃; Product distribution; oxidative cleavage; | 93% |
With porcin pancreatic lipase In water; acetone at 20℃; for 96h; Hydrolysis; | 94 % Chromat. |
1,3-diphenyl-1-phenylsulfanylpropan-2-one
1,3-Diphenylpropanone
Conditions | Yield |
---|---|
With zinc In acetic acid | 92% |
Conditions | Yield |
---|---|
With n-butyllithium at -78℃; for 8h; | 92% |
Conditions | Yield |
---|---|
With copper(II) sulfate In tetrahydrofuran; methanol; water for 19h; Heating; | 90% |
With iron pentacarbonyl In methanol for 48h; Product distribution; Irradiation; Fe2(CO)9, 60 deg C; | 81% |
With water; oxygen In acetonitrile at 60℃; under 760.051 Torr; for 6h; Autoclave; Green chemistry; | 32% |
With bismuth(lll) trifluoromethanesulfonate; bismuth(III) bromide In water; acetone; acetonitrile for 4h; Heating; | |
Multi-step reaction with 2 steps 1: acetic acid; chlorine 2: NaN3; aqueous acetic acid; CO2 View Scheme |
Conditions | Yield |
---|---|
With bis(1,5-cyclooctadiene)nickel(0); 4,4'-di-tert-butyl-2,2'-bipyridine; magnesium chloride; zinc In acetonitrile at 25℃; for 12h; Inert atmosphere; | 90% |
With bis(1,5-cyclooctadiene)nickel(0); 4,4'-di-tert-butyl-2,2'-bipyridine; magnesium chloride; zinc In acetonitrile at 25℃; for 12h; Schlenk technique; Inert atmosphere; | 90% |
With tetrabutylammonium tetrafluoroborate; (2,2'-bipyridine)nickel(II) dibromide In acetonitrile Ambient temperature; zinc rod as the anode, vitreous carbon gauze as the cathode, 0.1 A; | 80% |
With [2,2]bipyridinyl; tetrabutylammonium tetrafluoroborate; tris(2,2'-bipyridine)nickel(II) tetrafluoroborate In acetonitrile at 25℃; Product distribution; Kinetics; Electrochemical reaction; | |
With bis(1,5-cyclooctadiene)nickel(0); magnesium chloride; zinc In acetonitrile at 20℃; for 12h; Inert atmosphere; | 41 mmol |
Molecule structure of 1,3-Diphenylacetone (CAS NO.102-04-5):
IUPAC Name: 1,3-Diphenylpropan-2-one
Molecular Weight: 210.27106 g/mol
Molecular Formula: C15H14O
Density: 1.069 g/cm3
Melting Point: 32-34 °C(lit.)
Boiling Point: 331 °C at 760 mmHg
Flash Point: 149.4 °C
Index of Refraction: 1.574
Molar Refractivity: 64.95 cm3
Molar Volume: 196.5 cm3
Surface Tension: 42.1 dyne/cm
Enthalpy of Vaporization: 57.36 kJ/mol
Vapour Pressure: 0.00016 mmHg at 25 °C
Storage Temp.: 2-8 °C
Stability: Stable. Combustible. Incompatible with strong oxidizing agents.
XLogP3-AA: 3.1
H-Bond Acceptor: 1
Rotatable Bond Count: 4
Tautomer Count: 2
Exact Mass: 210.104465
MonoIsotopic Mass: 210.104465
Topological Polar Surface Area: 17.1
Heavy Atom Count: 16
Canonical SMILES: C1=CC=C(C=C1)CC(=O)CC2=CC=CC=C2
InChI: 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
InChIKey: YFKBXYGUSOXJGS-UHFFFAOYSA-N
EINECS: 203-000-0
Product Categories: Aromatic Ketones (substituted)
1,3-Diphenylacetone (CAS NO.102-04-5) is frequently used in an aldol condensation reaction with benzil (a dicarbonyl) and base to create tetraphenylcyclopentadienone.
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
rat | LD50 | oral | > 2gm/kg (2000mg/kg) | BEHAVIORAL: ATAXIA | National Technical Information Service. Vol. OTS0559576, |
Safety Statements: 24/25-22
S24/25:Avoid contact with skin and eyes.
S22:Do not breathe dust.
WGK Germany: 3
RTECS: EC2030000
1,3-Diphenylacetone (CAS NO.102-04-5) is also named as 1,3-Diphenyl-2-propanone ; 1,3-Diphenylpropanone ; 2-Propanone, 1,3-diphenyl- ; AI3-05001 ; Benzyl ketone ; Dibenzyl ketone ; FEMA No. 2397 ; NSC 220312 ; alpha,alpha'-Diphenylacetone . 1,3-Diphenylacetone (CAS NO.102-04-5) is light yellow solid.