4'-Methyl[1,1'-Biphenyl]-4-Ol

Base Information

• Chemical Name: 4'-Methyl[1,1'-Biphenyl]-4-Ol
• CAS No.: 26191-64-0
• Molecular Formula: C13H12O
• Molecular Weight: 184.238
• Hs Code.: 2907199090
• DSSTox Substance ID: DTXSID00362559
• Nikkaji Number: J161.446K
• Wikidata: Q72488252
• Mol file: 26191-64-0.mol

Synonyms:26191-64-0;4'-Methyl[1,1'-Biphenyl]-4-Ol;4-(4-methylphenyl)phenol;4'-Methyl-[1,1'-biphenyl]-4-ol;4'-methyl-1,1'-biphenyl-4-ol;4'-methylbiphenyl-4-ol;MFCD00218802;Enamine_005371;4'-methyl-4-biphenylol;4-methyl-biphenyl-4-ol;4'-methyl-biphenyl-4-ol;4'-methy-4-hydroxybiphenyl;4'-methyl-4-hydroxybiphenyl;4-Hydroxy-4'-methylbiphenyl;SCHEMBL894975;SCHEMBL10447721;DTXSID00362559;HMS1409E03;(E)-2,4-Dihydroxybenzaldehydeoxime;4'-methyl-[1,1'-biphenyl]-4-oll;AKOS001044591;AC-6316;CS-W007015;SB66740;[1,1'-Biphenyl]-4-ol, 4'-methyl-;4-hydroxy-4'-methyl-[1,1'-biphenyl];NCGC00339061-01;TS-00224;BB 0223361;FT-0618976;EN300-08122;AB01330941-02;A818299;Z56899067;F3096-2296

Chemical Property of 4'-Methyl[1,1'-Biphenyl]-4-Ol

Chemical Property:

• Melting Point: 150-152 °C
• Boiling Point: 318.6±11.0 °C at 760 mmHg
• PKA: 9.92±0.26(Predicted)
• Flash Point: 152.4±11.1 °C
• PSA: 20.23000
• Density: 1.1±0.1 g/cm³
• LogP: 3.36760
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 184.088815002
• Heavy Atom Count: 14
• Complexity: 162

Purity/Quality:

99.0%, ^*data from raw suppliers

4-(4-Methylphenyl)phenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 22-26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4'-Methyl[1,1'-Biphenyl]-4-Ol

There total 13 articles about 4'-Methyl[1,1'-Biphenyl]-4-Ol 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: 69.0%

4-bromo-phenol (106-41-2) + 4-methylphenylboronic acid (5720-05-8) → (4,4'-dimethyl-1,1'-biphenyl) (613-33-2) + 4'-methyl-biphenyl-4-ol (26191-64-0)

Guidance literature:

With sodium phosphate; In water; isopropyl alcohol; at 27 ℃; for 0.166667h; Time;

DOI:10.3390/molecules26237346

Reference yield: 66.0%

cyclohexenone (930-68-7) + para-bromotoluene (106-38-7) → 4'-methyl-biphenyl-4-ol (26191-64-0) + C19H20O2 (1359636-27-3)

Guidance literature:

With palladium diacetate; caesium carbonate; triphenylphosphine; In 1-methyl-pyrrolidin-2-one; at 70 ℃; for 15h; Molecular sieve; Inert atmosphere;

DOI:10.1021/ol300145g

Reference yield: 47.0%

4-phenoxytoluene (1706-12-3) → p-cresol (106-44-5) + 4'-methyl-biphenyl-4-ol (26191-64-0) + 5-methylbiphenyl-2-ol (39579-09-4)

Guidance literature:

In ethanol; for 3h; Ambient temperature; Irradiation;

DOI:10.1021/jo9517196

upstream raw materials:

toluene

4-diazo-2,5-cyclohexadienone

4-phenoxytoluene

phenol

Downstream raw materials:

p-(p-tolyl)benzonitrile

4-Methoxy-4-p-tolyl-cyclohexa-2,5-dienone

4-phenyl-6-(p-tolyl)-2H-chromen-2-one

Refernces

• 1、 Hall, Emma A.,Sarkar, Md Raihan,Bell, Stephen G.. "The selective oxidation of substituted aromatic hydrocarbons and the observation of uncoupling via redox cycling during naphthalene oxidation by the CYP101B1 system". . p. 1537 - 1548. Retrieved 2017/06/05.
• 2、 Wang, Yue-Ting,Novak, Michael. "Multiple decomposition pathways for the oxenium ion precursor O-(4-(4′-methylphenyl)phenyl)-N-methanesulfonylhydroxylamine". body text. p. 7697 - 7706. Retrieved 2010/03/01.