(2,5-Dimethylphenyl)(phenyl)methanone

Base Information

• Chemical Name: (2,5-Dimethylphenyl)(phenyl)methanone
• CAS No.: 4044-60-4
• Molecular Formula: C15H14O
• Molecular Weight: 210.276
• Hs Code.: 2914399090
• European Community (EC) Number: 223-740-8
• NSC Number: 82305
• DSSTox Substance ID: DTXSID80960835
• Nikkaji Number: J217.857E
• Wikidata: Q82942091
• Mol file: 4044-60-4.mol

Synonyms:(2,5-Dimethylphenyl)(phenyl)methanone;4044-60-4;2,5-Dimethylbenzophenone;(2,5-dimethylphenyl)-phenylmethanone;Methanone, (2,5-dimethylphenyl)phenyl-;NSC82305;Benzophenone, 2,5-dimethyl-;SCHEMBL305558;1-benzoyl-2,5-dimethylbenzene;PJCBRWRFLHBSNH-UHFFFAOYSA-;DTXSID80960835;MFCD00008557;NSC-82305;AKOS001078896;(2,5-Dimethyl-phenyl)-phenyl-methanone;NCGC00329367-01;(2,5-Dimethylphenyl)(phenyl)methanone #;LS-03559;CS-0309352;FT-0683272;EN300-17759;AB01322953-02;Z57028524

Chemical Property of (2,5-Dimethylphenyl)(phenyl)methanone

Chemical Property:

• Vapor Pressure: 0.000396mmHg at 25°C
• Melting Point: 33-36 °C(lit.)
• Refractive Index: n20/D 1.588(lit.)
• Boiling Point: 317 °C at 760 mmHg
• Flash Point: 153.5 °C
• PSA: 17.07000
• Density: 1.05 g/cm³
• LogP: 3.53440
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 210.104465066
• Heavy Atom Count: 16
• Complexity: 240

Purity/Quality:

98%min ^*data from raw suppliers

(2,5-dimethylphenyl)(phenyl)methanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1)C)C(=O)C2=CC=CC=C2

Technology Process of (2,5-Dimethylphenyl)(phenyl)methanone

There total 33 articles about (2,5-Dimethylphenyl)(phenyl)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: 100.0%

para-xylene (106-42-3) + benzoyl chloride (98-88-4) → 2,5-dimethylbenzophenone (4044-60-4)

Guidance literature:

With tris(fluorosulphonyl)methane; at 138 ℃; for 3h;

Reference yield: 99.0%

carbon monoxide (201230-82-2) + para-xylene (106-42-3) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → 2,5-dimethylbenzophenone (4044-60-4)

Guidance literature:

benzene; With bis(η3-allyl-μ-chloropalladium(II)); iodine; silver trifluoromethanesulfonate; In 1,2-dichloro-ethane; at 20 ℃;

carbon monoxide; para-xylene; In 1,2-dichloro-ethane; at 60 ℃; for 22h; under 3040.2 Torr;

DOI:10.1039/d0sc00085j

Reference yield: 99.0%

para-xylene (106-42-3) + benzoic acid anhydride (93-97-0) → 2,5-dimethylbenzophenone (4044-60-4)

Guidance literature:

sulfated zirconia; at 100 ℃; for 2h; Further Variations:; Catalysts; Product distribution;

DOI:10.1246/bcsj.77.1893

upstream raw materials:

para-xylene

benzoyl chloride

Benzoesaeure-dichlorophosphorsaeure-anhydrid

benzoyl triflate

Downstream raw materials:

(2,5-Dimethyl-phenyl)-diphenyl-methanol

2-benzyl-1,4-dimethylbenzene

2-methylanthracene

benzophenone-2,5-dicarboxylic acid

Refernces

• 1、 Izumi, Yusuke,Ogawa, Mayumi,Nohara, Wataru,Urabe, Kazuo. "Acidic Alkali Metal Salts and Ammonium Salts of Keggin-type Heteropolyacids as Efficient Solid Acid Catalysts for Liquid-phase Friedel-Crafts Reactions". . p. 1987 - 1990. Retrieved 1992.
• 2、 Du, Jihong,Duan, Baogen,Liu, Kun,Liu, Renhua,Yu, Feifei,Yuan, Yongkun,Zhang, Chenyang,Zhang, Jin. "Selective Oxidation of Alkylarenes to the Aromatic Ketones or Benzaldehydes with Water". supporting information. . Retrieved 2022/02/09.
• 3、 Champagne, Pier Alexandre,Desroches, Justine,Keddie, Neil S.,O'Hagan, David,Paquin, Jean-Fran?ois. "Stereochemical outcomes of C–F activation reactions of benzyl fluoride". supporting information. p. 106 - 113. Retrieved 2020/05/06.