2-Methyl-4-(4-methylphenyl)phenol

Base Information

• Chemical Name: 2-Methyl-4-(4-methylphenyl)phenol
• CAS No.: 175136-31-9
• Molecular Formula: C14H14 O
• Molecular Weight: 198.265
• Hs Code.: 2907199090
• DSSTox Substance ID: DTXSID40366233
• Nikkaji Number: J161.498C
• Wikidata: Q82151365
• ChEMBL ID: CHEMBL343636
• Mol file: 175136-31-9.mol

Synonyms:2-methyl-4-(4-methylphenyl)phenol;175136-31-9;4-(4-METHYLPHENYL)-2-METHYLPHENOL;3,4'-Dimethyl-[1,1'-biphenyl]-4-ol;CHEMBL343636;3,4/'-DIMETHYL[1,1/'-BIPHENYL]-4-OL;Enamine_005850;[1,1'-Biphenyl]-4-ol,3,4'-dimethyl-;3,4'-dimethyl-4-biphenylol;SCHEMBL3559333;DTXSID40366233;HMS1410J20;BDBM50409752;MFCD00218801;AKOS001035792;IDI1_008085;NCGC00336147-01;CS-0353967;FT-0614357;AB01331410-02;Z56804281

Chemical Property of 2-Methyl-4-(4-methylphenyl)phenol

Chemical Property:

• Boiling Point: 320.1oC at 760 mmHg
• Flash Point: 151.9oC
• PSA: 20.23000
• Density: 1.067g/cm3
• LogP: 3.67600
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 198.104465066
• Heavy Atom Count: 15
• Complexity: 194

Purity/Quality:

95% ^*data from raw suppliers

3,4''-Dimethyl[1,1''-biphenyl]-4-ol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Methyl-4-(4-methylphenyl)phenol

There total 2 articles about 2-Methyl-4-(4-methylphenyl)phenol 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: 47.0%

2-methyl-2-cyclohexen-1-one (1121-18-2) + para-bromotoluene (106-38-7) → 3,4'-dimethyl-(1,1'-biphenyl)-4-ol (175136-31-9)

Guidance literature:

With palladium diacetate; caesium carbonate; triphenylphosphine; In 1-methyl-pyrrolidin-2-one; at 90 ℃; for 15h; regioselective reaction; Molecular sieve; Inert atmosphere;

DOI:10.1021/ol300145g

Reference yield:

p-toluidine (106-49-0,12221-03-3) + ortho-cresol (95-48-7,77504-84-8) → 1-methyl-2-(4-methylphenoxy)benzene (3402-72-0) + 3,4'-dimethyl-(1,1'-biphenyl)-4-ol (175136-31-9)

Guidance literature:

With sulfuric acid; at 95 ℃; Diazotization;

Reference yield: 87.0%

3,4'-dimethyl-(1,1'-biphenyl)-4-ol (175136-31-9) + 4-bromo-5-nitrophthalonitrile (206268-72-6) → 4-{[3,4'-dimethyl(1,1'-biphenyl)-4-yl]oxy}-5-nitrophthalonitrile

Guidance literature:

With potassium carbonate; In water; N,N-dimethyl-formamide; for 0.5h;

DOI:10.1134/S1070363218070125

upstream raw materials:

p-toluidine

ortho-cresol

2-methyl-2-cyclohexen-1-one

para-bromotoluene

Downstream raw materials:

4-(morpholin-4-yl)tetra-5-{[3,4'-dimethyl(1,1'-biphenyl)-4-yl]oxy}phthalonitrile

4-(1-benzotriazolyl)-5-{[3,4'-dimethyl(1,1'-biphenyl)-4-yl]oxy}phthalonitrile

4-{[3,4'-dimethyl-(1,1'-biphenyl)-4-yl]oxy}phthalonitrile