4-Chloro-4'-methylbenzophenone

Base Information

• Chemical Name: 4-Chloro-4'-methylbenzophenone
• CAS No.: 5395-79-9
• Molecular Formula: C14H11ClO
• Molecular Weight: 230.694
• Hs Code.: 2914700090
• NSC Number: 29
• UNII: 2HV7GJ3H7B
• DSSTox Substance ID: DTXSID60202240
• Nikkaji Number: J975.791K
• Wikidata: Q83075513
• Mol file: 5395-79-9.mol

Synonyms:4-Chloro-4'-methylbenzophenone;5395-79-9;(4-chlorophenyl)(p-tolyl)methanone;(4-chlorophenyl)(4-methylphenyl)methanone;(4-chlorophenyl)-(4-methylphenyl)methanone;Methanone, (4-chlorophenyl)(4-methylphenyl)-;BENZOPHENONE, 4-CHLORO-4'-METHYL-;NSC 29;AI3-30786;BRN 2048588;2HV7GJ3H7B;NSC-29;Benzophenone, 4-chloro-4//'-methyl-;4-07-00-01405 (Beilstein Handbook Reference);NSC29;UNII-2HV7GJ3H7B;4-(4-chlorobenzoyl)toluene;4-(4-chlorobenzoyl) toluene;SCHEMBL195263;4'-chloro-4-methylbenzophenone;4-chloro-4' -methylbenzophenone;DTXSID60202240;MFCD00625699;Benzophenone, 4-chloro-4/'-methyl-;AKOS002346029;4-CHLORO=4'-METHYLBENZOPHENONE;AM87047;BS-28655;LS-38885;A18875;EN300-1732267;AE-641/00008058;F3095-2236;Z385417368

Chemical Property of 4-Chloro-4'-methylbenzophenone

Chemical Property:

• Vapor Pressure: 1.68E-05mmHg at 25°C
• Melting Point: 128.5-129 °C
• Refractive Index: 1.586
• Boiling Point: 364.5 °C at 760 mmHg
• Flash Point: 197.3 °C
• PSA: 17.07000
• Density: 1.178 g/cm³
• LogP: 3.87940
• Storage Temp.: 2-8°C
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 230.0498427
• Heavy Atom Count: 16
• Complexity: 235

Purity/Quality:

99.0% ^*data from raw suppliers

4-Chloro-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)Cl
• Uses: 4-Chloro-4''-methylbenzophenone is a useful synthetic compound.

Technology Process of 4-Chloro-4'-methylbenzophenone

There total 55 articles about 4-Chloro-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: 99.0%

1-chloro-4-(4-methylbenzyl)benzene (30203-87-3) → 4'-methyl-4-chlorobenzophenone (5395-79-9)

Guidance literature:

With tert.-butylnitrite; oxygen; acetic acid; 2,3-dicyano-5,6-dichloro-p-benzoquinone; In 1,1,2,2-tetrachloroethane; at 130 ℃; for 12h; Autoclave;

DOI:10.1016/j.tet.2015.07.042

Reference yield: 98.0%

p-chlorophenyl-p-methylphenylmethanol acetate (1438894-52-0) → 4'-methyl-4-chlorobenzophenone (5395-79-9)

Guidance literature:

With 2,3-dicyano-5,6-dichloro-p-benzoquinone; In water; chlorobenzene; at 130 ℃; for 4h;

Reference yield: 97.0%

tri(p-tolyl)bismuth (5142-75-6) + 4-chloro-benzoyl chloride (122-01-0) → 4'-methyl-4-chlorobenzophenone (5395-79-9)

Guidance literature:

With tributyl-amine; In 1-methyl-pyrrolidin-2-one; at 80 ℃; for 3h; Schlenk technique; Inert atmosphere;

DOI:10.1002/ejoc.201201432

upstream raw materials:

p-Toluic acid

chlorobenzene

toluene

para-chlorobenzoic acid

Downstream raw materials:

4-bromomethyl-4'-chlorobenzophenone

4-(4-chlorobenzoyl)benzaldehyde

α-cyano-β-(p-ClC6H4)-β-(p-tolyl)acrylonitrile

4-chloro-4'methylbenzhydrol

Refernces

• 1、 Lin, Shih-Chieh Aaron,Liu, Shiuh-Tzung,Liu, Yi-Hung,Peng, Shie-Ming,Su, Bo-Kai. "Tetra- And Dinuclear Palladium Complexes Based on a Ligand of 2,8-Di-2-pyridinylanthyridine: Preparation, Characterization, and Catalytic Activity". . p. 2081 - 2089. Retrieved 2021/07/26.
• 2、 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.