1,1-Diphenylacetone

Base Information

• Chemical Name: 1,1-Diphenylacetone
• CAS No.: 781-35-1
• Molecular Formula: C15H14O
• Molecular Weight: 210.276
• Hs Code.: 2914399090
• European Community (EC) Number: 212-307-9
• NSC Number: 400472
• DSSTox Substance ID: DTXSID8061137
• Nikkaji Number: J151.181E
• Wikipedia: 1,1-Diphenylacetone
• Wikidata: Q72472996
• Mol file: 781-35-1.mol

Synonyms:1,1-Diphenylacetone;781-35-1;1,1-diphenylpropan-2-one;1,1-Diphenyl-2-propanone;2-Propanone, 1,1-diphenyl-;1,1-Diphenyl acetone;Methyl diphenylmethyl ketone;Ketone, diphenylmethyl methyl;Benzhydryl methyl ketone;diphenylacetone;EINECS 212-307-9;NSC 400472;BRN 1910206;AI3-11041;4-07-00-01426 (Beilstein Handbook Reference);a,a-Diphenylacetone;3,3-diphenyl acetone;2-Propanone,1-diphenyl-;1,1-diphenyl-propan-2-one;1,1-Diphenylacetone, 98%;SCHEMBL396389;DTXSID8061137;.alpha.,.alpha.-Diphenylacetone;MFCD00008759;NSC400472;AKOS000120672;NSC-400472;AS-58214;LS-122971;D1397;EU-0066768;FT-0606148;EN300-18197;D-6100;D89851;A839342;SR-01000389284;SR-01000389284-1;F0345-0710

Chemical Property of 1,1-Diphenylacetone

Chemical Property:

• Appearance/Colour: white solid.
• Vapor Pressure: 0.000719mmHg at 25°C
• Melting Point: 59-63 °C(lit.)
• Refractive Index: 1.563
• Boiling Point: 307.6 °C at 760 mmHg
• Flash Point: 133.8 °C
• PSA: 17.07000
• Density: 1.052 g/cm³
• LogP: 3.40750
• Storage Temp.: 2-8°C
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 210.104465066
• Heavy Atom Count: 16
• Complexity: 204

Purity/Quality:

98% ^*data from raw suppliers

1,1-Diphenylacetone >99.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Aromatic Ketones
• Canonical SMILES: CC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2

Technology Process of 1,1-Diphenylacetone

There total 83 articles about 1,1-Diphenylacetone which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 100.0%

2-methyl-3,3-diphenyl-2-oxiranecarboxylic acid (24834-34-2) → 1,1-diphenylacetone (781-35-1)

Guidance literature:

With Dowex 50W ion-exchange resin; In dichloromethane; Heating;

DOI:10.1021/jo00346a013

Reference yield: 99.0%

1,2-epoxy-1,1-diphenylpropane (4741-91-7) → 1,1-diphenylacetone (781-35-1)

Guidance literature:

With rhenium(I) pentacarbonyl bromide; In monoethylene glycol diethyl ether; at 80 ℃; for 1h; chemoselective reaction; Inert atmosphere;

DOI:10.1016/j.tetlet.2017.05.018

Reference yield: 94.0%

Formic acid 1-methyl-2,2-diphenyl-vinyl ester (113388-56-0) → 1,1-diphenylacetone (781-35-1)

Guidance literature:

With hydrogenchloride; In tetrahydrofuran; water; for 48h; Ambient temperature;

DOI:10.1016/S0040-4020(01)86890-3

upstream raw materials:

diphenylacetic acid chloride

dimethylcadmium

ethyl-(1-methyl-2,2-diphenyl-vinyl)-ether

1,1-diphenylpropane-1,2-diol

Downstream raw materials:

diphenadione

3,3-diphenyl-5-hexen-2-one

1,1-diphenyl-2-methyl-2-butanol

3-bromo-1,1-diphenylpropan-2-one

Refernces

• 1、 Fan, Xiuwei,Lei, Tao,Liu, Zan,Yang, Xiu-Long,Cheng, Yuan-Yuan,Liang, Ge,Chen, Bin,Tung, Chen-Ho,Wu, Li-Zhu. "Benzyl C–O and C–N Bond Construction via C–C Bond Dissociation of Oxime Ester under Visible Light Irradiation". . p. 1551 - 1558. Retrieved 2019/09/09.
• 2、 Maity, Asim,Hyun, Sung-Min,Wortman, Alan K.,Powers, David C.. "Oxidation Catalysis by an Aerobically Generated Dess–Martin Periodinane Analogue". supporting information. p. 7205 - 7209. Retrieved 2018/05/29.