[1,1'-Biphenyl]-4-ol, 4'-(1,1-dimethylethyl)-

Base Information

• Chemical Name: [1,1'-Biphenyl]-4-ol, 4'-(1,1-dimethylethyl)-
• CAS No.: 19812-92-1
• Molecular Formula: C16H18 O
• Molecular Weight: 226.318
• European Community (EC) Number: 243-342-8
• DSSTox Substance ID: DTXSID0066535
• Nikkaji Number: J225.293G
• Wikidata: Q81993114
• Mol file: 19812-92-1.mol

Synonyms:19812-92-1;4-(4-t-Butylphenyl)phenol;4-(4-tert-butylphenyl)phenol;[1,1'-Biphenyl]-4-ol, 4'-(1,1-dimethylethyl)-;EINECS 243-342-8;4'-(1,1-dimethylethyl)[1,1'-biphenyl]-4-ol;4'-Tert-butyl[1,1'-biphenyl]-4-ol;4-Biphenylol, 4'-tert-butyl-;4'-(tert-Butyl)-[1,1'-biphenyl]-4-ol;4/'-(1,1-dimethylethyl)[1,1/'-biphenyl]-4-ol;(1,1'-Biphenyl)-4-ol, 4'-(1,1-dimethylethyl)-;4'-(1,1-Dimethylethyl)(1,1'-biphenyl)-4-ol;4'-tert butyl-biphenyl-4-ol;4'-tert-Butyl-biphenyl-4-ol;SCHEMBL1765333;DTXSID0066535;MFCD06802300;4'-tert-Butyl-1,1'-biphenyl-4-ol;AKOS004116454;BS-27692;BB 0223358;4'-TERT-BUTYL-[1,1'-BIPHENYL]-4-OL;EN300-6735874

Chemical Property of [1,1'-Biphenyl]-4-ol, 4'-(1,1-dimethylethyl)-

Chemical Property:

• Boiling Point: 338.2°Cat760mmHg
• Flash Point: 159.1°C
• PSA: 20.23000
• Density: 1.029g/cm³
• LogP: 4.35670
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 226.135765193
• Heavy Atom Count: 17
• Complexity: 224

Purity/Quality:

99% ^*data from raw suppliers

[1,1'-Biphenyl]-4-ol,4'-(1,1-dimethylethyl)- ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of [1,1'-Biphenyl]-4-ol, 4'-(1,1-dimethylethyl)-

There total 2 articles about [1,1'-Biphenyl]-4-ol, 4'-(1,1-dimethylethyl)- 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: 96.0%

4-bromo-phenol (106-41-2) + p-tert-butylphenylboronic acid (123324-71-0) → 4'-tert-butyl-biphenyl-4-ol (19812-92-1)

Guidance literature:

With potassium carbonate; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In 1,2-dimethoxyethane; water; at 80 ℃; for 48h;

Reference yield: 73.0%

p-tert-butylphenylboronic acid (123324-71-0) → 4'-tert-butyl-biphenyl-4-ol (19812-92-1)

Guidance literature:

p-tert-butylphenylboronic acid; polystyrene-Wang resin-CH₂O-(4-iodophenyl); With sodium carbonate; 1-butyl-3-methylimidazolium Tetrafluoroborate; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In water; N,N-dimethyl-formamide; at 110 ℃; for 2h;

With trifluoroacetic acid; In dichloromethane; for 1h; Further stages.;

DOI:10.1021/ol0263292

Reference yield:

1-(p-methoxycarbonylphenyl)-3-methyl-1-butanol (100757-91-3) + 4'-tert-butyl-biphenyl-4-ol (19812-92-1) → 4-[1-(4'-tert-butyl-biphenyl-4-yloxy)-3-methyl-butyl]-benzoic acid methyl ester

Guidance literature:

With tributylphosphine; 1,1'-azodicarbonyl-dipiperidine; In toluene; at 0 - 20 ℃;

upstream raw materials:

p-tert-butylphenylboronic acid

4-bromo-phenol

Downstream raw materials:

4-[1-(4'-tert-butyl-biphenyl-4-yloxy)-3-methyl-butyl]-benzoic acid

3-{4-[1-(4'-tert-butyl-biphenyl-4-yloxy)-3-methyl-butyl]-benzoylamino}-2(R)-hydroxy-propionic acid methyl ester