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:

1,3-diphenyl-1-(p-tolyl)prop-2-yn-1-ol

1-methyl-4-(1-phenylprop-1-en-1-yl)benzene

2,4'-dimethyl-trityl chloride

(4-methylphenyl)diphenylmethanol

Refernces

Photochemistry of Bichromophoric Aromatic Diketones: The Effect of Methylene Chain

10.1021/jo00263a051

The research focuses on the photochemistry of bichromophoric aromatic diketones, specifically examining the effect of the methylene chain on intramolecular energy transfer efficiency. The purpose of the study was to understand the mechanism of highly efficient intramolecular energy migration in diketone molecules, which are potential candidates for novel molecular electronic devices used in memory and switching applications. The researchers concluded that the efficiency of intramolecular energy transfer decreases as the number of methylene groups separating the two chromophores increases, with the most efficient transfer observed in the compound with three methylene groups (6c). This was attributed to the possibility of a rapid intramolecular triplet energy transfer via a sandwich-type conformation. The chemicals used in the process included a series of bichromophoric aromatic diketones (6a-c), benzene as the solvent for photolyses, and various reference compounds such as benzophenone (BP), 4-methylbenzophenone (2), and 4-methyl-2',4',6'-triisopropylbenzophenone (4). The study involved spectroscopic studies, preparative photolyses, and quantum yield measurements to analyze the photochemical reactions and energy transfer processes.

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