4-(4-(4-(Trifluoromethyl)phenoxy)piperidin-1-yl)phenol

Base Information

• Chemical Name: 4-(4-(4-(Trifluoromethyl)phenoxy)piperidin-1-yl)phenol
• CAS No.: 681509-01-3
• Molecular Formula: C18H18F3NO2
• Molecular Weight: 337.342
• DSSTox Substance ID: DTXSID20582696
• Wikidata: Q82474198

Synonyms:681509-01-3;4-(4-(4-(Trifluoromethyl)phenoxy)piperidin-1-yl)phenol;4-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]phenol;4-{4-[4-(Trifluoromethyl)phenoxy]piperidin-1-yl}phenol;Phenol, 4-[4-[4-(trifluoromethyl)phenoxy]-1-piperidinyl]-;SCHEMBL13279685;DTXSID20582696;DAQZDTIIIPKVFW-UHFFFAOYSA-N

Chemical Property of 4-(4-(4-(Trifluoromethyl)phenoxy)piperidin-1-yl)phenol

Chemical Property:

• XLogP3: 4.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 337.12896330
• Heavy Atom Count: 24
• Complexity: 380

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCC1OC2=CC=C(C=C2)C(F)(F)F)C3=CC=C(C=C3)O

Technology Process of 4-(4-(4-(Trifluoromethyl)phenoxy)piperidin-1-yl)phenol

There total 3 articles about 4-(4-(4-(Trifluoromethyl)phenoxy)piperidin-1-yl)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:

1-[4-(tetrahydro-pyran-2-yloxy)-phenyl]-4-(4-trifluoromethyl-phenoxy)-piperidine (1026583-69-6) → 4-[4-(4-trifluoromethylphenoxy)piperidin-1-yl]phenol (681509-01-3)

Guidance literature:

With ethanol; pyridinium p-toluenesulfonate; at 70 ℃; for 24h;

DOI:10.1021/jm060957y

Reference yield:

4-[4-(trifluoromethyl)-phenoxy]piperidine (28033-37-6) → 4-[4-(4-trifluoromethylphenoxy)piperidin-1-yl]phenol (681509-01-3)

Guidance literature:

Multi-step reaction with 2 steps

1: Cs₂CO₃ / Pd(OAc)2; rac-BINAP / toluene / 0.5 h / Heating

2: EtOH / pyridinium p-toluenesulfonate / 24 h / 70 °C

With ethanol; caesium carbonate; palladium diacetate; pyridinium p-toluenesulfonate; 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; In toluene;

DOI:10.1021/jm060957y

Reference yield:

4-(tetrahydropyran-2'-yloxy)-1-bromobenzene (36603-49-3) → 4-[4-(4-trifluoromethylphenoxy)piperidin-1-yl]phenol (681509-01-3)

Guidance literature:

Multi-step reaction with 2 steps

1: Cs₂CO₃ / Pd(OAc)2; rac-BINAP / toluene / 0.5 h / Heating

2: EtOH / pyridinium p-toluenesulfonate / 24 h / 70 °C

With ethanol; caesium carbonate; palladium diacetate; pyridinium p-toluenesulfonate; 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; In toluene;

DOI:10.1021/jm060957y

upstream raw materials:

1-[4-(tetrahydro-pyran-2-yloxy)-phenyl]-4-(4-trifluoromethyl-phenoxy)-piperidine

4-[4-(trifluoromethyl)-phenoxy]piperidine

4-(tetrahydropyran-2'-yloxy)-1-bromobenzene

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