4-Bromo-3'-methylbenzophenone

Base Information

• Chemical Name: 4-Bromo-3'-methylbenzophenone
• CAS No.: 27428-61-1
• Molecular Formula: C14H11BrO
• Molecular Weight: 275.145
• Hs Code.: 2914700090
• DSSTox Substance ID: DTXSID10373717
• Nikkaji Number: J2.910.697E
• Wikidata: Q82162024
• Mol file: 27428-61-1.mol

Synonyms:4-Bromo-3'-methylbenzophenone;27428-61-1;(4-bromophenyl)-(3-methylphenyl)methanone;(4-bromophenyl)(3-methylphenyl)methanone;3-Methyl-4'-bromobenzophenone;DTXSID10373717;(4-bromophenyl)(m-tolyl)methanone;CBA42861;(4-Bromo-phenyl)-m-tolyl-methanone;MFCD06201440;AKOS009339764

Chemical Property of 4-Bromo-3'-methylbenzophenone

Chemical Property:

• Vapor Pressure: 8.05E-06mmHg at 25°C
• Melting Point: 109 °C
• Boiling Point: 374.9°C at 760 mmHg
• Flash Point: 78.7°C
• PSA: 17.07000
• Density: 1.375g/cm³
• LogP: 3.98850
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 273.99933
• Heavy Atom Count: 16
• Complexity: 243

Purity/Quality:

98%min ^*data from raw suppliers

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-Bromo-3'-methylbenzophenone

There total 3 articles about 4-Bromo-3'-methylbenzophenone 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: 61.0%

4-bromobenzoic anhydride (1633-33-6) + tri-o-tolylboroxine (7294-50-0) → (4-bromophenyl)(m-tolyl)methanone (27428-61-1)

Guidance literature:

With copper(l) iodide; palladium(II) trifluoroacetate; triphenyl-arsane; norbornene; potassium carbonate; p-benzoquinone; In toluene; at 100 ℃; for 14h; Sealed tube; Molecular sieve;

DOI:10.1016/j.chempr.2019.02.005

Reference yield: 34.0%

4-bromo-benzaldehyde (1122-91-4) + 4-methyl-2-(trimethylsilyl)phenyl trifluoromethanesulfonate (262373-15-9) → (4-bromophenyl)(m-tolyl)methanone (27428-61-1) + (4-bromophenyl)(p-tolyl)methanone (76693-57-7)

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

Reference yield: 30.0%

1-bromo-4-(3-methylbenzyl)benzene (14297-35-9) → (4-bromophenyl)(m-tolyl)methanone (27428-61-1)

Guidance literature:

With 2,2'-azobis(isobutyronitrile); oxygen; In acetonitrile; at 75 ℃; for 24h;

DOI:10.1016/j.tetlet.2020.152806

upstream raw materials:

4-bromo-benzaldehyde

4-methyl-2-(trimethylsilyl)phenyl trifluoromethanesulfonate

4-bromobenzoic anhydride

tri-o-tolylboroxine

Refernces

• 1、 Li, Renhe,Liu, Feipeng,Dong, Guangbin. "Redox-Neutral ortho Functionalization of Aryl Boroxines via Palladium/Norbornene Cooperative Catalysis". supporting information. p. 929 - 939. Retrieved 2019/04/10.