4-Bromo-3',4'-dimethylbenzophenone

Base Information

• Chemical Name: 4-Bromo-3',4'-dimethylbenzophenone
• CAS No.: 300383-01-1
• Molecular Formula: C15H13BrO
• Molecular Weight: 289.17
• Hs Code.: 2914700090
• DSSTox Substance ID: DTXSID20373647
• Wikidata: Q82161909
• Mol file: 300383-01-1.mol

Synonyms:4-Bromo-3',4'-dimethylbenzophenone;300383-01-1;(4-bromophenyl)-(3,4-dimethylphenyl)methanone;(4-bromophenyl)(3,4-dimethylphenyl)methanone;(4-Bromo-phenyl)-(3,4-dimethyl-phenyl)-methanone;DTXSID20373647;MFCD00625700;AKOS000727835

Chemical Property of 4-Bromo-3',4'-dimethylbenzophenone

Chemical Property:

• Vapor Pressure: 1.1E-06mmHg at 25°C
• Boiling Point: 402.4°C at 760 mmHg
• Flash Point: 75.7°C
• PSA: 17.07000
• Density: 1.336g/cm³
• LogP: 4.29690
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 288.01498
• Heavy Atom Count: 17
• Complexity: 268

Purity/Quality:

98%min ^*data from raw suppliers

4-Bromo-3',4'-dimethylbenzophenone 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=C(C=C1)C(=O)C2=CC=C(C=C2)Br)C

Technology Process of 4-Bromo-3',4'-dimethylbenzophenone

There total 2 articles about 4-Bromo-3',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: 84.0%

o-xylene (95-47-6) + Se-phenyl 4-bromoselenobenzoate → (4-bromophenyl)(3,4-dimethylphenyl)methanone (300383-01-1)

Guidance literature:

With 9,10-dimethoxyanthracene; In acetonitrile; at 20 ℃; Inert atmosphere; Irradiation;

DOI:10.1039/c7cc07529d

Reference yield: 70.0%

4-bromo-benzaldehyde (1122-91-4) + 4,5-dimethyl-2-(trimethylsilyl)phenyl triflate (458566-99-9) → (4-bromophenyl)(3,4-dimethylphenyl)methanone (300383-01-1)

Guidance literature:

With potassium fluoride; 18-crown-6 ether; 3-(2,4,6-trimethyl-phenyl)-5,6,7,8-tetrahydro-4H-cycloheptathiazol-3-ium perchlorate; potassium tert-butylate; In tetrahydrofuran; at 25 ℃; for 4h; Inert atmosphere;

DOI:10.1002/anie.201005490

upstream raw materials:

4-bromo-benzaldehyde

4,5-dimethyl-2-(trimethylsilyl)phenyl triflate

o-xylene

Refernces

• 1、 Biju, Akkattu T.,Glorius, Frank. "Intermolecular N-heterocyclic carbene catalyzed hydroacylation of arynes". supporting information; experimental part. p. 9761 - 9764. Retrieved 2011/03/16.