3-Methylbenzophenone

Base Information

• Chemical Name: 3-Methylbenzophenone
• CAS No.: 643-65-2
• Molecular Formula: C14H12O
• Molecular Weight: 196.249
• Hs Code.: 29143990
• European Community (EC) Number: 211-401-7
• UNII: 7292QZ59E1
• DSSTox Substance ID: DTXSID40214528
• Nikkaji Number: J23.021I
• Wikidata: Q27266051
• Mol file: 643-65-2.mol

Synonyms:3-Methylbenzophenone;643-65-2;3-Methyl-benzophenone;(3-methylphenyl)-phenylmethanone;Phenyl(m-tolyl)methanone;Benzophenone, 3-methyl-;3-Benzoyltoluene;Methanone, (3-methylphenyl)phenyl-;MFCD00008535;m-Methylbenzophenone;Phenyl m-tolyl ketone;phenyl-m-tolyl-methanone;UNII-7292QZ59E1;EINECS 211-401-7;7292QZ59E1;Phenyl 3-tolyl ketone;(3-Methylphenyl)phenylmethanone;3-methyl benzophenone;3-Methylbenzophenone, 99%;SCHEMBL81347;URBLVRAVOIVZFJ-UHFFFAOYSA-;DTXSID40214528;(3-Methylphenyl)(phenyl)methanone;(3-Methylphenyl)(phenyl)methanone #;AKOS009158699;AC-13761;AS-58228;SY048910;CS-0153232;FT-0616128;M1247;D71224;W-104847;Q27266051

Chemical Property of 3-Methylbenzophenone

Chemical Property:

• Appearance/Colour: Clear slightly yellow to greenish liquid
• Vapor Pressure: 0.000392mmHg at 25°C
• Melting Point: 2°C
• Refractive Index: n20/D 1.597(lit.)
• Boiling Point: 317.162 °C at 760 mmHg
• Flash Point: 139.535 °C
• PSA: 17.07000
• Density: 1.068 g/cm³
• LogP: 3.22600
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Difficult to mix.
• Water Solubility.: insoluble
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 196.088815002
• Heavy Atom Count: 15
• Complexity: 215

Purity/Quality:

98%,99%, ^*data from raw suppliers

3-Methylbenzophenone ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=CC(=CC=C1)C(=O)C2=CC=CC=C2
• Uses: 3-Methylbenzophenone is used as a pharmaceutical intermediate or Ketoprofen intermediates.

Technology Process of 3-Methylbenzophenone

There total 159 articles about 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: 98.3%

1-(phenyl)-1-(m-tolyl)ethylene (4333-70-4) → 3-methyl benzophenone (643-65-2)

Guidance literature:

With oxygen; at 110 ℃; for 8h; Sealed tube;

Reference yield: 98.0%

1-(3-methylbenzoyl)pyrrolidine-2,5-dione + phenylboronic acid (98-80-6) → 3-methyl benzophenone (643-65-2)

Guidance literature:

With C₃₄H₄₁Cl₂N₃PdS; sodium carbonate; In toluene; at 80 ℃; for 16h; Schlenk technique; Inert atmosphere;

DOI:10.1016/j.jorganchem.2018.09.026

Reference yield: 97.0%

m-methylphenylphenylmethanol acetate (1438894-51-9) → 3-methyl benzophenone (643-65-2)

Guidance literature:

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

upstream raw materials:

3-Methylbenzonitrile

1,2-diphenyl-1,2-di-m-tolyl-ethane-1,2-diol

Phenetole

3-Methylbenzoyl chloride

Downstream raw materials:

3-methyl-benzophenone-seqtrans-oxime

1-(3-Methylphenyl)-1-phenylethanol

3-Carboethoxy-(4-phenyl, 4-(3-methylphenyl))-but-3-enoic acid

[3-(Dibromomethyl)phenyl]phenylmethanone

Refernces

• 1、 Hu, Yingying,Shao, Yu,Zhang, Shuwei,Yuan, Yuan,Sun, Zheng,Yuan, Yu,Jia, Xiaodong. "AIBN initiated functionalization of the benzylic sp3 C[sbnd]H and C[sbnd]C bonds in the presence of dioxygen". supporting information. . Retrieved 2021/02/01.
• 2、 Yu, Tao,Guo, Mingqing,Wen, Simiaomiao,Zhao, Rongrong,Wang, Jinlong,Sun, Yanli,Liu, Qixing,Zhou, Haifeng. "Poly(ethylene glycol) dimethyl ether mediated oxidative scission of aromatic olefins to carbonyl compounds by molecular oxygen". . p. 13848 - 13852. Retrieved 2021/04/22.