4-Methylbenzophenone

Base Information

• Chemical Name: 4-Methylbenzophenone
• CAS No.: 134-84-9
• Molecular Formula: C14H12O
• Molecular Weight: 196.249
• Hs Code.: PRICE
• European Community (EC) Number: 205-159-1
• NSC Number: 4898
• UNII: B2F68X17BM
• DSSTox Substance ID: DTXSID9037741
• Nikkaji Number: J5.600F
• Wikidata: Q27274279
• ChEMBL ID: CHEMBL371531
• Mol file: 134-84-9.mol

Synonyms:4-methylbenzophenone

Chemical Property of 4-Methylbenzophenone

Chemical Property:

• Appearance/Colour: white to slightly yellow powder
• Vapor Pressure: 0.000413mmHg at 25°C
• Melting Point: 56.5-57 ºC
• Refractive Index: 1.534
• Boiling Point: 328.1 ºC at 760 mmHg
• Flash Point: 141 ºC
• PSA: 17.07000
• Density: 1.067 g/cm³
• LogP: 3.22600
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• Water Solubility.: Insoluble in water.
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 196.088815002
• Heavy Atom Count: 15
• Complexity: 207

Purity/Quality:

99% ^*data from raw suppliers

4-Methylbenzophenone ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Benzophenones
• Canonical SMILES: CC1=CC=C(C=C1)C(=O)C2=CC=CC=C2
• Uses: Benzophenone estrogenicity toxicity structure activity. 4-Methylbenzophenone is used as clear coatings for wood, plastic and metal, overprint varnish. 4-Methylbenzophenone may be used as a reference standard for the determination of the analyte in breakfast cereals, paperboard food packaging and packed milk by various chromatography techniques.

Technology Process of 4-Methylbenzophenone

There total 583 articles about 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: 51.0%

oxalyl dichloride (79-37-8) + triphenylbismuthane (603-33-8) + tri(p-tolyl)bismuth (5142-75-6) → benzophenone (119-61-9) + bis(p-methylphenyl)-methanone (611-97-2) + 4-Methylbenzophenone (134-84-9)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; In 1,4-dioxane; at 80 ℃; for 4h; Inert atmosphere;

DOI:10.1016/j.tetlet.2010.07.074

Reference yield: 45.0%

37,38,39,40,41,42-hexabenzoyloxy[6]arene (106750-72-5) → 4-Methylbenzophenone (134-84-9) + calix[6]arene (96107-95-8)

Guidance literature:

With aluminium trichloride; In toluene; at 70 ℃;

Reference yield:

toluene (108-88-3,15644-74-3,16713-13-6) → 4-Methylbenzophenone (134-84-9) + 2-benzyltoluene (713-36-0) + 2-Methylbenzophenone (131-58-8) + benzaldehyde (100-52-7)

Guidance literature:

toluene; at 25 ℃; for 336h;

With water; In methanol; for 1h;

DOI:10.1016/j.apcata.2012.02.023

upstream raw materials:

tetrachloromethane

1-methyl-4-nitrosobenzene

1-methyl-4-(phenylmethyl)benzene

dichloro-phenyl-p-tolyl-methane

Downstream raw materials:

2,3-diphenyl-2,3-di-p-tolyl-oxirane

1,1,4-triphenyl-4-p-tolyl-but-2-yne-1,4-diol

1-phenyl-1-p-tolylbut-3-en-1-ol

4-(α-chloro-4-methyl-benzhydryl)-anisole

Refernces

• 1、 Al-Masum, Mohammad,Wai, Maya Chen,Dunnenberger, Henry. "Solvent-free C-benzoylation and N-benzoylation reactions using". . p. 2888 - 2898. Retrieved 2011.
• 2、 Arata et al.. "". . p. 385,386, 387. Retrieved 1976.
• 3、 Yang, Xue,Zhao, Hui,Feng, Jifei,Chen, Yanning,Gao, Shuiying,Cao, Rong. "Visible-light-driven selective oxidation of alcohols using a dye-sensitized TiO2-polyoxometalate catalyst". . p. 59 - 66. Retrieved 2017.
• 4、 K?se, Muhammet,Ko?er, Ferudun,Onur, Sultan,Tümer, Ferhan. "Synthesis, characterization and antibacterial effect of diarylmethylamine-based imines". . . Retrieved 2020.
• 5、 Xia, Min,Chen, Zhenchu. "Hypervalent iodine in synthesis part 39. Palladium-catalyzed carbonylative coupling of iodonium salts and potassium aryltrifluoroborates by carbon monoxide". . p. 400 - 401. Retrieved 1999.
• 6、 Nakahara, Kazuhide,Kitazawa, Chie,Mineno, Tomoko. "Chloramine-T-mediated oxidation of benzylic alcohols using indium(III) triflate". . p. 801 - 804. Retrieved 2017.
• 7、 Wu, Shang,Ma, Hengchang,Yan, Penghua,Wang, Jianqiang,Ding, Juanjuan,Lei, Ziqiang. "Photo-Catalytic oxidation of benzyl alcohols using oxone in the presence of n-Bu4NBr in water". . p. 424 - 427. Retrieved 2009.
• 8、 Doyle, Abigail G.,Gandhi, Shivaani S.,Jiang, Shutian,Kariofillis, Stavros K.,Martinez Alvarado, Jesus I.,?urański, Andrzej M.. "Using Data Science To Guide Aryl Bromide Substrate Scope Analysis in a Ni/Photoredox-Catalyzed Cross-Coupling with Acetals as Alcohol-Derived Radical Sources". supporting information. p. 1045 - 1055. Retrieved 2022/01/19.
• 9、 Zhong, Jing,Zhou, Wuxin,Yan, Xufei,Xia, Ying,Xiang, Haifeng,Zhou, Xiangge. "Selective Activation of Unstrained C(O)-C Bond in Ketone Suzuki-Miyaura Coupling Reaction Enabled by Hydride-Transfer Strategy". supporting information. p. 1372 - 1377. Retrieved 2022/02/23.