4,4'-Dimethylbenzophenone

Base Information

• Chemical Name: 4,4'-Dimethylbenzophenone
• CAS No.: 611-97-2
• Molecular Formula: C15H14 O
• Molecular Weight: 210.276
• Hs Code.: 2914399090
• European Community (EC) Number: 210-287-6
• NSC Number: 37137,1807
• UNII: GI3DRY0THD
• DSSTox Substance ID: DTXSID9060603
• Nikkaji Number: J136.484G
• Wikidata: Q63396617
• ChEMBL ID: CHEMBL1490173
• Mol file: 611-97-2.mol

Synonyms:4,4'-Dimethylbenzophenone;611-97-2;Bis(4-methylphenyl)methanone;p-Tolyl ketone;Di-p-tolyl ketone;Methanone, bis(4-methylphenyl)-;p,p'-Dimethylbenzophenone;Benzophenone, 4,4'-dimethyl-;p,p'-Dimethyl di-phenyl ketone;4,4'-Carbonylbis(toluene);MFCD00017214;Bis-p-tolyl ketone;Di-p-tolylmethanone;GI3DRY0THD;NSC 1807;NSC 37137;Di(4-methylphenyl) ketone;4,4'-dimethyl benzophenone;4,4'-Carbonylbis[toluene];4.4/'-Dimethylbenzophenone;NSC-1807;EINECS 210-287-6;NSC-37137;Benzophenone,4'-dimethyl-;bis-p-tolylmethanone;dip-tolylmethanone;di-p-tolyl-methanone;UNII-GI3DRY0THD;Enamine_005826;p,p'-Dimethylbenzophenon;4,4' dimethylbenzophenone;di(4-methylphenyl)methanone;4,4'-di-methylbenzophenone;4,4''-Dimethylbenzophenone;4,4/'-Dimethylbenzophenone;4,4\'-Dimethylbenzophenone;SCHEMBL52200;bis(4-methylphenyl)methaneone;MLS001005683;BIS(4-TOLYL)METHANONE;ghl.PD_Mitscher_leg0.1076;Bis(4-methylphenyl)methanone #;CHEMBL1490173;DTXSID9060603;NSC1807;4,4'-Dimethylbenzophenone, 99%;HMS1410I18;HMS2720G23;BIS(4-METHYLPHENYL) KETONE;NSC37137;STR09191;CCG-49061;STK290972;AKOS001025633;CS-W015108;IDI1_008061;NCGC00245986-01;SMR000348920;SY036131;D0685;EU-0000113;FT-0617090;F11260;A833089;AE-641/00008061;SR-01000389196;4,4 inverted exclamation mark -Dimethylbenzophenone;SR-01000389196-1;SR-01000389196-2;Q63396617;Z56755570

Chemical Property of 4,4'-Dimethylbenzophenone

Chemical Property:

• Appearance/Colour: White crystals crystals.
• Melting Point: 93-97 ºC
• Refractive Index: 1.5361 (estimate)
• Boiling Point: 200 ºC (17 mmHg)
• Flash Point: 200°C/17mm
• PSA: 17.07000
• Density: 1.0232 (rough estimate)
• LogP: 3.53440
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility.: Insoluble in water.
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 210.104465066
• Heavy Atom Count: 16
• Complexity: 206

Purity/Quality:

99% ^*data from raw suppliers

4,4'-Dimethylbenzophenone >99.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 22-24/25-36/37-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C
• Uses: 4,4'-Dimethylbenzophenone is used as catalytic agent and petrochemical additive. It is also used as pharmaceutical intermediates.

Technology Process of 4,4'-Dimethylbenzophenone

There total 251 articles about 4,4'-Dimethylbenzophenone 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: 99.0%

para-bromotoluene (106-38-7) + 4-methyl-benzaldehyde (104-87-0) → bis(p-methylphenyl)-methanone (611-97-2)

Guidance literature:

para-bromotoluene; With n-butyllithium; In tetrahydrofuran; hexane; at -78 ℃; for 0.5h;

4-methyl-benzaldehyde; In tetrahydrofuran; hexane; at -78 - 20 ℃; for 1h;

With iodine; potassium carbonate; In tert-butyl alcohol; for 7h; Reflux;

DOI:10.1016/j.tet.2011.12.023

Reference yield: 99.0%

4,4'-dimethylbenzhydrol (885-77-8) + cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) → hexahydro-2H-oxepin-2-one (502-44-3,24980-41-4,80137-66-2) + bis(p-methylphenyl)-methanone (611-97-2)

Guidance literature:

4,4'-dimethylbenzhydrol; cyclohexanone; With N-hydroxyphthalimide; 2,2'-azobis(isobutyronitrile); oxygen; In ethyl acetate; at 75 ℃; for 8h;

With bis(3-trifluoromethyl) diselenide; In 2,2,2-trifluoroethanol; ethyl acetate; at 30 ℃; for 6h;

Reference yield: 98.0%

4,4'-dimethylbenzhydrol (885-77-8) → bis(p-methylphenyl)-methanone (611-97-2)

Guidance literature:

With diisopropyl-carbodiimide; In toluene; at 120 ℃; for 24h; Inert atmosphere; Sealed tube;

DOI:10.1002/ejoc.202000416

upstream raw materials:

1,1-di(4-methylphenyl)ethane

para-bromotoluene

4-tolyl iodide

tetra(4-methylphenyl)-1,2-ethanediol

Downstream raw materials:

bis(4-methylphenyl)phenylmethanol

4,4'-dimethyl-benzophenone semicarbazone

4,4'-bis-dichloromethyl-benzophenone

3,3'-dinitro-4,4'-dimethylbenzophenone

Refernces

• 1、 Fujita, Morifumi,Shindo, Akira,Ishida, Akito,Majima, Tetsuro,Takamuku, Setsuo,Fukuzumi, Shunichi. "Photooxygenation of 1,1-Diarylethylenes via Addition of Oxygen to the 1,4-Dimer Radical Cations, Catalyzed by 10-Methylacridinium Ion". . p. 743 - 749. Retrieved 1996.
• 2、 Turro, Nicholas J.,Gould, Ian R.,Liu, Jennifer,Jenks, William S.,Staab, Heinz,Alt, Reinhold. "Investigations of the Influence of Molecular Geometry on the Spectroscopic and Photochemical Properties of α-Oxoparacyclophanes (Cyclophanobenzophenones)". . p. 6378 - 6383. Retrieved 1989.
• 3、 Xie, Pan,Xue, Cheng,Shi, Sanshan,Du, Dongdong. "Visible-Light-Driven Selective Air-Oxygenation of C?H Bond via CeCl3 Catalysis in Water". . p. 2689 - 2693. Retrieved 2021/05/07.
• 4、 Xie, Pan,Xue, Cheng,Du, Dongdong,Shi, SanShan. "Photo-induced oxidative cleavage of C-C double bonds for the synthesis of biaryl methanoneviaCeCl3catalysis". supporting information. p. 6781 - 6785. Retrieved 2021/08/20.