4,4'-Dimethylbenzil

Base Information

• Chemical Name: 4,4'-Dimethylbenzil
• CAS No.: 3457-48-5
• Molecular Formula: C16H14O2
• Molecular Weight: 238.286
• Hs Code.: 29143990
• European Community (EC) Number: 222-388-2
• NSC Number: 22505
• UNII: 4HZ2Y7K8GZ
• DSSTox Substance ID: DTXSID60188116
• Nikkaji Number: J208.431G
• Wikidata: Q72469397
• Pharos Ligand ID: BHCDGNSBXXPU
• ChEMBL ID: CHEMBL192625
• Mol file: 3457-48-5.mol

Synonyms:4,4'-dimethylbenzil;p,p'-dimethylbenzil

Chemical Property of 4,4'-Dimethylbenzil

Chemical Property:

• Appearance/Colour: yellow crystals or needles
• Melting Point: 102-104 °C(lit. )
• Refractive Index: 1.6290 (estimate)
• Boiling Point: 399.7 °C at 760 mmHg
• Flash Point: 168.6 °C
• PSA: 34.14000
• Density: 1.119 g/cm³
• LogP: 3.36900
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 238.099379685
• Heavy Atom Count: 18
• Complexity: 273

Purity/Quality:

98%, ^*data from raw suppliers

4,4''-Dimethylbenzil ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4,4'-Dimethylbenzil

There total 105 articles about 4,4'-Dimethylbenzil 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%

4,4'-dimethylbenzoin (1218-89-9) → 1,2-di(4-methylphenyl)-1,2-ethanedione (3457-48-5)

Guidance literature:

With pyridine; C₂₂H₁₆CoN₂O₈; oxygen; In water; at 80 ℃; for 1h; pH=11.5;

DOI:10.1016/j.cclet.2010.06.009

Reference yield: 95.0%

1,2-di-p-tolylethane-1,2-diol (5173-28-4,5173-29-5,24133-59-3,66749-58-4,66768-19-2) → 1,2-di(4-methylphenyl)-1,2-ethanedione (3457-48-5)

Guidance literature:

With ruthenium trichloride; bromamine T; In water; acetonitrile; at 80 ℃; for 0.166667h; pH=8.4;

DOI:10.1081/SCC-200048974

Reference yield: 95.0%

4,4'-dimethylbenzoin (1218-89-9) → ethyl 3-phenyl-2-propenoate (103-36-6) + 1,2-di(4-methylphenyl)-1,2-ethanedione (3457-48-5)

Guidance literature:

With 2,6-dimethylpyridine; 2,3-dibromo-3-phenyl-propionic acid ethyl ester; triphenylantimony dibromide; In chloroform-d1; at 70 ℃; for 72h;

DOI:10.1246/cl.1985.1577

upstream raw materials:

4-methyl-benzaldehyde

p-Toluic acid

oxalyl dichloride

toluene

Downstream raw materials:

5,6-bis(p-methylphenyl)-2,3-dihydropyrazine

2,5-diphenyl-3,4-di(p-tolyl)cyclopenta-2,4-dien-1-one

2,3,4,5-tetra(4-methylphenyl)cyclopenta-2,4-dien-1-one

p,p'-Dimethylstilbene-1,2-di(ethyl carbonate)

Refernces

• 1、 Higashikawa, Go,Koguchi, Shinichi,Ohmura, Shiori,Shibuya, Yuga,Toyoda, Anna. "One-pot synthesis, structural analysis, and oxidation applications of a series of diaryltellurium dicarboxylates". . p. 32837 - 32840. Retrieved 2021/12/07.
• 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.