4-Bromo-4'-methylbenzophenone

Base Information

• Chemical Name: 4-Bromo-4'-methylbenzophenone
• CAS No.: 76693-57-7
• Molecular Formula: C14H11BrO
• Molecular Weight: 275.145
• DSSTox Substance ID: DTXSID70373718
• Nikkaji Number: J1.797.319C
• Wikidata: Q82162025
• Mol file: 76693-57-7.mol

Synonyms:4-Bromo-4'-methylbenzophenone;76693-57-7;(4-bromophenyl)-(4-methylphenyl)methanone;(4-Bromophenyl)(p-tolyl)methanone;(4-bromophenyl)(4-methylphenyl)methanone;4-bromo4'-methylbenzophenone;SCHEMBL870184;DTXSID70373718;HYLHMBIFGKMXHZ-UHFFFAOYSA-N;MFCD00625706;AKOS005067742;BS-24416;CS-0205067;Methanone,(4-bromophenyl)(4-methylphenyl)-

Chemical Property of 4-Bromo-4'-methylbenzophenone

Chemical Property:

• Vapor Pressure: 6.67E-06mmHg at 25°C
• 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: 235

Purity/Quality:

98%min ^*data from raw suppliers

4-Bromo-4''-methylbenzophenone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-Bromo-4'-methylbenzophenone

There total 29 articles about 4-Bromo-4'-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: 95.0%

para-bromotoluene (106-38-7) + 4-bromo-benzaldehyde (1122-91-4) → (4-bromophenyl)(p-tolyl)methanone (76693-57-7)

Guidance literature:

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

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

With iodine; potassium carbonate; In tert-butyl alcohol; for 3h; Reflux;

DOI:10.1016/j.tet.2011.12.023

Reference yield: 90.0%

1-bromo-4-(1-(p-tolyl)vinyl)benzene (34564-89-1) → (4-bromophenyl)(p-tolyl)methanone (76693-57-7)

Guidance literature:

With di-tert-butyl peroxide; iron(II) chloride; In decane; acetonitrile; at 20 ℃; for 8h; Inert atmosphere; Schlenk technique;

DOI:10.1021/acs.organomet.8b00184

Reference yield: 90.0%

4-Bromophenylboronic acid (5467-74-3) + 4-methyl-benzoyl chloride (874-60-2) → (4-bromophenyl)(p-tolyl)methanone (76693-57-7)

Guidance literature:

With sodium hydroxide; In toluene; at 100 ℃; for 2h; Schlenk technique;

DOI:10.1016/j.tetlet.2017.06.048

upstream raw materials:

4-Bromobenzoic acid

toluene

4-chlorobenzoyl chloride

(4-bromophenyl)(4-methylphenyl)methanol

Downstream raw materials:

4-(4'-bromobenzoyl)benzoic acid

methyl 11-[4-(4-methylbenzoyl)-phenyl]-undecanoate

acetic acid 11-[4-(4-methyl-benzoyl)-phenyl]-undecyl ester

N-[2-(4-bromo-benzoyl)-5-methyl-phenyl]-4-chloro-benzenesulfonamide

Refernces

• 1、 Huo, Jie,Xiong, Daokai,Xu, Jun,Yue, Xiaoguang,Zhang, Pengfei,Zhang, Yilan. "Selective oxidation of alkenes to carbonyls under mild conditions". supporting information. p. 5549 - 5555. Retrieved 2021/08/16.
• 2、 -. "Aryl aldiketone and synthesis method thereof". Paragraph 0032. . Retrieved 2021/09/26.