Ethanedione, 1,2-bis(2-methylphenyl)-

Base Information

• Chemical Name: Ethanedione, 1,2-bis(2-methylphenyl)-
• CAS No.: 2048-07-9
• Molecular Formula: C16H14O2
• Molecular Weight: 238.286
• NSC Number: 116294
• DSSTox Substance ID: DTXSID20297490
• Nikkaji Number: J554.143C
• Wikidata: Q82038605
• Mol file: 2048-07-9.mol

Synonyms:2048-07-9;1,2-bis(2-methylphenyl)ethane-1,2-dione;Ethanedione, 1,2-bis(2-methylphenyl)-;1,2-bis(2-methylphenyl)-1,2-ethanedione;1,2-Ethanedione, 1,2-bis(2-methylphenyl)-;o-Tolil;NSC116294;2,2'-dimethylbenzil;SCHEMBL166603;DTXSID20297490;1,2-Di-o-tolylethane-1,2-dione;1,2-bis(o-tolyl)-ethane-1,2-dione;NSC-116294;CS-0449379;AE-562/12222679

Chemical Property of Ethanedione, 1,2-bis(2-methylphenyl)-

Chemical Property:

• Vapor Pressure: 1.69E-06mmHg at 25°C
• Boiling Point: 396.6°Cat760mmHg
• Flash Point: 167.1°C
• Density: 1.119g/cm³
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 238.099379685
• Heavy Atom Count: 18
• Complexity: 289

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC=CC=C1C(=O)C(=O)C2=CC=CC=C2C

Technology Process of Ethanedione, 1,2-bis(2-methylphenyl)-

There total 25 articles about Ethanedione, 1,2-bis(2-methylphenyl)- 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: 97.0%

2-hydroxy-1,2-bis(2-methylphenyl)ethanone (4389-39-3) → 1,2-bis(2-methylphenyl)-1,2-ethanedione (2048-07-9)

Guidance literature:

With 1,4-diaza-bicyclo[2.2.2]octane; oxygen; potassium carbonate; zinc(II) oxide; In toluene; at 60 ℃; for 18h;

DOI:10.1016/j.tetlet.2010.12.004

Reference yield: 90.0%

2,2'-dimethylhydrobenzoin (64158-25-4) → 1,2-bis(2-methylphenyl)-1,2-ethanedione (2048-07-9)

Guidance literature:

With urea hydrogen peroxide adduct; lanthanum(lll) triflate; at 70 ℃; for 0.666667h; Ionic liquid; Green chemistry;

DOI:10.1080/00397911.2013.831904

Reference yield: 87.0%

ortho-toluoyl chloride (933-88-0) → 1,2-bis(2-methylphenyl)-1,2-ethanedione (2048-07-9)

Guidance literature:

With samarium; diiodomethane; In tetrahydrofuran; for 0.5h;

DOI:10.1021/jo701923z

upstream raw materials:

ortho-toluoyl chloride

2-hydroxy-1,2-bis(2-methylphenyl)ethanone

Di-t-butyl ketone

carbon monoxide

Downstream raw materials:

hydroxy-di-o-tolyl-acetic acid

3-(4,5-di-o-tolyl-1H-imidazol-2-yl)-4-hydroxy-chromen-2-one

1,1,2,2-tetrafluoro-1,2-di-o-tolylethane

3,4-bis(3-methylphenyl)-2,5-diphenylcyclopentadienone

Refernces

• 1、 Yu, Yangyang,Lin, Chenlu,Li, Bing,Zhao, Pengxiang,Zhang, Shiyong. "Dendrimer-like core cross-linked micelle stabilized ultra-small gold nanoclusters as a robust catalyst for aerobic oxidation of α-hydroxy ketones in water". . p. 3647 - 3655. Retrieved 2016.
• 2、 Shen, Duyi,Wang, Hongyan,Zheng, Yanan,Zhu, Xinjing,Gong, Peiwei,Wang, Bin,You, Jinmao,Zhao, Yulei,Chao, Mianran. "Catalyst-Free and Transition-Metal-Free Approach to 1,2-Diketones via Aerobic Alkyne Oxidation". . p. 5354 - 5361. Retrieved 2021/05/05.
• 3、 Cho, Eunjeong,Jayaraman, Aravindan,Lee, Junseong,Ko, Kyoung Chul,Lee, Sunwoo. "Substituent Effect in the Synthesis of α,α-Dibromoketones, 1,2-Dibromalkenes, and 1,2-Diketones from the Reaction of Alkynes and Dibromoisocyanuric Acid". . p. 1846 - 1858. Retrieved 2019/03/07.