2,6-Dibenzyl-4-methylphenol

Base Information

• Chemical Name: 2,6-Dibenzyl-4-methylphenol
• CAS No.: 6627-39-0
• Molecular Formula: C21H20 O
• Molecular Weight: 288.389
• NSC Number: 60662
• DSSTox Substance ID: DTXSID70289401
• Nikkaji Number: J191.712I
• Wikidata: Q82026690
• ChEMBL ID: CHEMBL1795585

Synonyms:2,6-dibenzyl-4-methylphenol;6627-39-0;NSC 60662;NSC60662;2,6-Dibenzyl-p-cresol;SCHEMBL670158;4-methyl-2,6-dibenzyl-phenol;CHEMBL1795585;DTXSID70289401;NSC-60662

Chemical Property of 2,6-Dibenzyl-4-methylphenol

Chemical Property:

• Vapor Pressure: 4.5E-08mmHg at 25°C
• Boiling Point: 432.1°C at 760 mmHg
• Flash Point: 203.7°C
• Density: 1.096g/cm³
• XLogP3: 5.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 288.151415257
• Heavy Atom Count: 22
• Complexity: 284

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C(=C1)CC2=CC=CC=C2)O)CC3=CC=CC=C3

Technology Process of 2,6-Dibenzyl-4-methylphenol

There total 12 articles about 2,6-Dibenzyl-4-methylphenol 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: 50.0%

p-cresol (106-44-5) + benzyl bromide (100-39-0) → 4-methylphenyl benzyl ether (834-25-3) + 2-benzyl-4-methylphenol (716-96-1) + 2,6-dibenzyl-4-methylphenol (6627-39-0)

Guidance literature:

p-cresol; With n-butyllithium; In toluene; for 0.25h; Inert atmosphere;

benzyl bromide; In toluene; at 80 ℃; Inert atmosphere;

DOI:10.1016/j.tet.2021.131935

Reference yield: 40.0%

bromobenzene (108-86-1,52753-63-6) + Mesitol (527-60-6) → 2-benzyl-4,6-dimethylphenol (19578-84-8) + 2,6-dibenzyl-4-methylphenol (6627-39-0)

Guidance literature:

With caesium carbonate; triphenylphosphine; palladium diacetate; In xylene; for 6h; Heating;

DOI:10.1246/cl.1999.961

Reference yield:

sodium 4-methylphenoxide (1121-70-6) + benzyl chloride (100-44-7) + toluene (108-88-3,15644-74-3,16713-13-6) → 4-methylphenyl benzyl ether (834-25-3) + 2-benzyl-4-methylphenol (716-96-1) + 2,6-dibenzyl-4-methylphenol (6627-39-0)

Guidance literature:

upstream raw materials:

sodium 4-methylphenoxide

benzyl bromide

p-cresol

benzyl chloride

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