2,4,6-Trimethylbiphenyl

Base Information

• Chemical Name: 2,4,6-Trimethylbiphenyl
• CAS No.: 3976-35-0
• Molecular Formula: C15H16
• Molecular Weight: 196.292
• DSSTox Substance ID: DTXSID30192841
• Nikkaji Number: J898.543J
• Wikidata: Q72513971
• Mol file: 3976-35-0.mol

Synonyms:2,4,6-TRIMETHYLBIPHENYL;1,3,5-trimethyl-2-phenylbenzene;3976-35-0;2,4,6-trimethyl-1,1'-biphenyl;Phenyl-mesitylen;DTXSID30192841;1,1'-Biphenyl, 2,4,6-trimethyl-;AKOS037621573;EN300-248254

Chemical Property of 2,4,6-Trimethylbiphenyl

Chemical Property:

• Vapor Pressure: 0.00878mmHg at 25°C
• Refractive Index: 1.554
• Boiling Point: 275 °C at 760 mmHg
• Flash Point: 118.7 °C
• PSA: 0.00000
• Density: 0.964g/cm³
• LogP: 4.27880
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 196.125200510
• Heavy Atom Count: 15
• Complexity: 178

Purity/Quality:

98%Min ^*data from raw suppliers

2,4,6-TRIMETHYL-1,1'-BIPHENYL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2,4,6-Trimethylbiphenyl

There total 9 articles about 2,4,6-Trimethylbiphenyl 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: 61.0%

dimesityl(phenyl)borane (65881-97-2) + bromobenzene (108-86-1,52753-63-6) → biphenyl (92-52-4,1594-86-1) + 1-phenyl-2,4,6-trimethylbenzene (3976-35-0)

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; sodium hydroxide; In ethanol; water; toluene; at 80 ℃; for 16h; Inert atmosphere;

DOI:10.1021/om1006903

Reference yield:

→ bromobenzene (108-86-1,52753-63-6) + 1-phenyl-2,4,6-trimethylbenzene (3976-35-0) + 2,4,6-trimethylphenyl bromide (576-83-0) + 1,3,5-trimethyl-benzene (108-67-8)

Guidance literature:

With bromine; In diethyl ether; for 0.5h; Yield given; Ambient temperature;

DOI:10.1016/0022-328X(86)80013-4

Reference yield:

potassium diphenyldimesitylborate (20623-88-5) → Mesitol (527-60-6) + 1-phenyl-2,4,6-trimethylbenzene (3976-35-0) + (2,4,6-trimethyl-3-biphenylyl)-mesitylphenylborane (20434-44-0) + phenol (108-95-2,27073-41-2)

Guidance literature:

In 1,2-dimethoxyethane; water; Irradiation (UV/VIS); by photolysis at 2537 ?; in the presence of air;

DOI:10.1016/S0022-328X(00)92639-1

upstream raw materials:

2,4,6-trimethylphenyl p-toluenesulfonate

potassium diphenyldimesitylborate

bromobenzene

mesitylboronic acid

Downstream raw materials:

7-bromo-1-[2,4,6-trimethyl(biphenyl)-3-yl]naphthalene

4,4'-bis(2,4,6-trimethylbiphenyl-3-yl)-1,1'-binaphthyl

4,4″-bis(2,4,6-trimethyl-[1,1′-biphenyl]-3-yl)-1,1′:4′,1″-ternaphthalene

N-(3'-phenyl-2',4',6'-trimethylbiphenyl-4-yl)-N-(3-phenyl-2,4,6-trimethylphenyl)acetamide

Refernces

• 1、 Wang, Nan,Hudson, Zachary M.,Wang, Suning. "Reactivity of aryldimesitylboranes under suzuki-miyaura coupling conditions". experimental part. p. 4007 - 4011. Retrieved 2011/01/03.
• 2、 Paulose, Tressia A.P.,Olson, Jeremy A.,Wilson Quail,Foley, Stephen R.. "Non-symmetrically substituted di-N-heterocyclic carbene palladium(II) complexes: Synthesis, structure and catalytic activity". . p. 3405 - 3410. Retrieved 2008/12/22.