Phenyl(2,4,5-trimethylphenyl)methanone

Base Information

• Chemical Name: Phenyl(2,4,5-trimethylphenyl)methanone
• CAS No.: 52890-52-5
• Molecular Formula: C16H16O
• Molecular Weight: 224.302
• DSSTox Substance ID: DTXSID40565229
• Nikkaji Number: J372.382H
• Wikidata: Q82450208
• Mol file: 52890-52-5.mol

Synonyms:2,4,5-Trimethylbenzophenone;52890-52-5;Phenyl(2,4,5-trimethylphenyl)methanone;phenyl-(2,4,5-trimethylphenyl)methanone;2.4.5-Trimethylbenzophenon;LCZC3322;SCHEMBL6459498;DTXSID40565229;FTPZYWUJDVZEIE-UHFFFAOYSA-N;CCA89052;MFCD08276423;AKOS013152964;AC-27941;AS-63593;Phenyl-(2,4,5-trimethyl-phenyl)-methanone;CS-0203560;T2062;T72574;A870879

Chemical Property of Phenyl(2,4,5-trimethylphenyl)methanone

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.565
• Boiling Point: 328 °C
• Flash Point: 150.833°C
• PSA: 17.07000
• Density: 1.037g/cm³
• LogP: 3.84280
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 224.120115130
• Heavy Atom Count: 17
• Complexity: 265

Purity/Quality:

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

2,4,5-Trimethylbenzophenone >95.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1C)C(=O)C2=CC=CC=C2)C

Technology Process of Phenyl(2,4,5-trimethylphenyl)methanone

There total 2 articles about Phenyl(2,4,5-trimethylphenyl)methanone 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: 73.0%

1,2,4-Trimethylbenzene (95-63-6) + benzoyl chloride (98-88-4) → 2,4,5-trimethylbenzophenone (52890-52-5)

Guidance literature:

With aluminium trichloride; In dichloromethane; for 6h; Ambient temperature;

DOI:10.1021/jo00021a055

Reference yield:

→ 2,4,5-trimethylbenzophenone (52890-52-5)

Guidance literature:

Pseudocumol, Benzoylchlorid, FeCl3 (5h/130-145grad); neben 4-Benzoyl-m-xylol;

Reference yield: 98.0%

2,4,5-trimethylbenzophenone (52890-52-5) → (S)-phenyl(2,4,5-trimethylphenyl)methanol

Guidance literature:

With formic acid; ((R,R)-Ts-DENEB)RuCl; triethylamine; at 60 ℃; for 23h; enantioselective reaction; Inert atmosphere;

DOI:10.1021/jacs.6b05738

upstream raw materials:

1,2,4-Trimethylbenzene

benzoyl chloride

Downstream raw materials:

2,4,5-trimethyldiphenylmethane

benzophenone-2,4,5-tricarboxylic acid

2,4,5-trimethylbenzenesulfonic acid

benzoic acid

Refernces

• 1、 Hallman, Johnny L.,Bartsch, Richard A.. "Synthesis of Naphthoninhydrin". . p. 6243 - 6245. Retrieved 2007/10/02.