4,6-Dimethyldibenzothiophene

Base Information

• Chemical Name: 4,6-Dimethyldibenzothiophene
• CAS No.: 1207-12-1
• Molecular Formula: C14H12S
• Molecular Weight: 212.315
• Hs Code.: 29349990
• European Community (EC) Number: 214-894-7
• Nikkaji Number: J217.056F
• Mol file: 1207-12-1.mol

Synonyms:4,6-dimethyldibenzothiophene;4,6-DMDBT

Chemical Property of 4,6-Dimethyldibenzothiophene

Chemical Property:

• Appearance/Colour: light yellow to light brown crystalline solid
• Vapor Pressure: 3.42E-05mmHg at 25°C
• Melting Point: 153-157 °C(lit.)
• Refractive Index: 1.706
• Boiling Point: 364.9 °C at 760 mmHg
• Flash Point: 130.2 °C
• PSA: 28.24000
• Density: 1.181 g/cm³
• LogP: 4.67130
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: 5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 212.06597156
• Heavy Atom Count: 15
• Complexity: 214

Purity/Quality:

99.5% ^*data from raw suppliers

4,6-Dimethyldibenzothiophene 97% ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=C2C(=CC=C1)C3=CC=CC(=C3S2)C
• Uses: 4,6-Dimethyldibenzothiophene is used in petroleum desulfurization studies.

Technology Process of 4,6-Dimethyldibenzothiophene

There total 19 articles about 4,6-Dimethyldibenzothiophene 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: 80.0%

Dimethyl-thiocarbamic acid O-(2'-dimethylthiocarbamoyloxy-3,3'-dimethyl-biphenyl-2-yl) ester (190841-62-4) → Dimethyl-thiocarbamic acid S-(2'-dimethylcarbamoylsulfanyl-3,3'-dimethyl-biphenyl-2-yl) ester + 4,6-dimethyldibenzothiophene (1207-12-1)

Guidance literature:

at 285 ℃; for 0.366667h;

DOI:10.1016/S0040-4020(97)00268-8

Reference yield: 78.0%

2,2′-sulfinylbis(methylbenzene) (5097-05-2) → 4,6-dimethyldibenzothiophene (1207-12-1)

Guidance literature:

With ruthenium(III) chloride trihydrate; silver carbonate; trifluoroacetic acid; at 140 ℃; for 20h; Inert atmosphere;

DOI:10.1002/ejoc.201501075

Reference yield: 75.0%

du-o-tolyl sulfide (4537-05-7) → 4,6-dimethyldibenzothiophene (1207-12-1)

Guidance literature:

With palladium(II) trifluoroacetate; silver(I) acetate; potassium carbonate; at 130 ℃; for 24h; Schlenk technique;

DOI:10.1002/chem.201402265

upstream raw materials:

3,3'-dimethyl-[1,1'-biphenyl]-2,2'-diol

4-methyldibenzothiophene

dimethyl sulfate

2-thiocresol

Downstream raw materials:

4-methyldibenzothiophene

biphenyl

3,3'-dimethyl-biphenyl

3-methylbiphenyl

Refernces

• 1、 Huang, Qiufeng,Fu, Shurong,Ke, Shaojia,Xiao, Hanbing,Zhang, Xiaofeng,Lin, Shen. "Rhodium-Catalyzed Sequential Dehydrogenation/Deoxygenation in One-Pot: Efficient Synthesis of Dibenzothiophene Derivatives from Diaryl Sulfoxides". . p. 6602 - 6605. Retrieved 2015.
• 2、 Kuehm-Caubere, Catherine,Adach-Becker, Sandrine,Fort, Yves,Caubere, Paul. "Expeditious and efficient syntheses of pure 4-methyl and 4,6-disubstituted dibenzothiophenes". . p. 9087 - 9092. Retrieved 1996.
• 3、 Akhmetov, Vladimir,Amsharov, Konstantin Yu,Feofanov, Mikhail,Takayama, Ryo. "Facile Synthesis of Thienoacenes via Transition-Metal-Free Ladderization". . p. 14759 - 14766. Retrieved 2021/11/12.
• 4、 Che, Rui,Wu, Zhiqing,Li, Zhengkai,Xiang, Haifeng,Zhou, Xiangge. "Synthesis of dibenzothiophenes by pd-catalyzed dual C-H activation from diaryl sulfides". supporting information. p. 7258 - 7261. Retrieved 2014/06/23.