4-(4-Trifluoromethoxyphenyl)phenol

Base Information

• Chemical Name: 4-(4-Trifluoromethoxyphenyl)phenol
• CAS No.: 173025-79-1
• Molecular Formula: C13H9F3O2
• Molecular Weight: 254.208
• Hs Code.: 2909499000
• DSSTox Substance ID: DTXSID80475712
• Nikkaji Number: J1.556.184J
• Wikidata: Q82306439
• Mol file: 173025-79-1.mol

Synonyms:4-(4-TRIFLUOROMETHOXYPHENYL)PHENOL;173025-79-1;4'-(Trifluoromethoxy)-[1,1'-biphenyl]-4-ol;4-[4-(trifluoromethoxy)phenyl]phenol;SCHEMBL508237;DTXSID80475712;4'-Trifluoromethoxy-biphenyl-4-ol;YGA02579;MFCD18312997;4-trifluoromethoxy-4'-hydroxybiphenyl;AKOS015907869;4-hydroxy-4'-(trifluoromethoxy)biphenyl;BS-27597;CS-0194545;4'-(trifluoromethoxy)[1,1'-biphenyl]-4-ol;E91450

Chemical Property of 4-(4-Trifluoromethoxyphenyl)phenol

Chemical Property:

• PSA: 29.46000
• LogP: 3.95780
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 254.05546401
• Heavy Atom Count: 18
• Complexity: 252

Purity/Quality:

99% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C2=CC=C(C=C2)OC(F)(F)F)O

Technology Process of 4-(4-Trifluoromethoxyphenyl)phenol

There total 6 articles about 4-(4-Trifluoromethoxyphenyl)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: 69.0%

4-bromo-phenol (106-41-2) + 4-trifluoromethoxyphenylboronic acid (139301-27-2) → 4-(4'-trifluoromethoxy phenyl)-phenol (173025-79-1)

Guidance literature:

With sodium carbonate; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In 1,2-dimethoxyethane; water; at 95 ℃;

DOI:10.1016/S0968-0896(03)00303-1

Reference yield: 45.0%

4-trifluoromethoxyphenylboronic acid (139301-27-2) → 4-(4'-trifluoromethoxy phenyl)-phenol (173025-79-1)

Guidance literature:

4-trifluoromethoxyphenylboronic 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:

4-benzyloxy-4'-(trifluoromethoxy)biphenyl → 4-(4'-trifluoromethoxy phenyl)-phenol (173025-79-1)

Guidance literature:

With hydrogen; palladium dihydroxide; In ethyl acetate;

upstream raw materials:

4-methoxy-4′-(trifluoromethoxy)-1,1′-biphenyl

4-trifluoromethoxyphenylboronic acid

4-bromo-phenol

1-bromo-4-(trifluoromethoxy)benzene

Downstream raw materials:

C₃₁H₃₈F₃N₃O₉

C₃₃H₃₈F₃NO₈

3-((2S)-2-(N-hydroxyamino)-3-((4'-(trifluoromethoxy)(1,1'-biphenyl)-4-yl)oxy)propyl)-5,5-dimethyl-2,4-imidazolidinedione

(R)-1-Benzyloxy-3-(4'-trifluoromethoxy-biphenyl-4-yloxy)-propan-2-ol