3-[2-Chloro-4-(trifluoromethyl)phenoxy]phenol

Base Information

• Chemical Name: 3-[2-Chloro-4-(trifluoromethyl)phenoxy]phenol
• CAS No.: 50594-76-8
• Molecular Formula: C13H8ClF3O2
• Molecular Weight: 288.654
• DSSTox Substance ID: DTXSID80512651
• Wikidata: Q82371994
• Mol file: 50594-76-8.mol

Synonyms:3-[2-Chloro-4-(trifluoromethyl)phenoxy]phenol;50594-76-8;SCHEMBL8749364;DTXSID80512651;NS00007315;3-(o-chloro-p-trifluoromethyl-phenoxy)-phenol

Chemical Property of 3-[2-Chloro-4-(trifluoromethyl)phenoxy]phenol

Chemical Property:

• Boiling Point: 112-124 °C(Press: 0.3 Torr)
• PSA: 29.46000
• Density: 1.415±0.06 g/cm3(Predicted)
• LogP: 4.85670
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 288.0164917
• Heavy Atom Count: 19
• Complexity: 298

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)O

Technology Process of 3-[2-Chloro-4-(trifluoromethyl)phenoxy]phenol

There total 4 articles about 3-[2-Chloro-4-(trifluoromethyl)phenoxy]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:

1,2-dichloro-4-(trifluoromethyl)benzene (328-84-7) + copper (12775-96-1,15158-11-9,15721-63-8,16941-75-6,17493-86-6,19498-52-3,20499-83-6,20499-84-7,20499-85-8,20499-86-9,20573-10-8,20573-11-9,21595-51-7,21595-52-8,22206-52-6,26445-28-3,28959-95-7,37362-93-9,39417-05-5,54603-16-6,54603-23-5,54603-32-6,54603-40-6,54603-48-4,54603-81-5,54603-89-3,56316-56-4,95985-91-4,122297-32-9,7440-50-8) + 1,3-Dimethoxybenzene (151-10-0) → 3-(2'-chloro-4'-trifluoromethyl-phenoxy)-phenol (50594-76-8)

Guidance literature:

In dichloromethane; dimethyl sulfoxide; Petroleum ether;

Reference yield:

1,2-dichloro-4-(trifluoromethyl)benzene (328-84-7) + di-potassium salt of resorcinol → 3-(2'-chloro-4'-trifluoromethyl-phenoxy)-phenol (50594-76-8)

Guidance literature:

In sulfolane; Heating;

Reference yield:

1,2-dichloro-4-(trifluoromethyl)benzene (328-84-7) + recorcinol (108-46-3) → 3-(2'-chloro-4'-trifluoromethyl-phenoxy)-phenol (50594-76-8)

Guidance literature:

With potassium hydroxide; Yield given. Multistep reaction; 1.) DMSO, H₂O, toluene, 2.) 160 deg C, 16 h;

DOI:10.1515/znb-1980-0721

upstream raw materials:

1,2-dichloro-4-(trifluoromethyl)benzene

recorcinol

copper

1,3-Dimethoxybenzene

Downstream raw materials:

2-hydroxy-4-(2-chloro-4-trifluoromethylphenoxy)benzaldehyde

2-[5-(o-chloro-p-trifluoromethyl-phenoxy)-2-nitrophenoxy]-propionic acid

2-[5-(2-Chloro-4-trifluoromethyl-phenoxy)-2-nitro-phenoxy]-N,N-dimethyl-propionamide

[5-(2-Chloro-4-trifluoromethyl-phenoxy)-2-nitro-phenoxy]-acetic acid ethyl ester