3,5-Difluoro-4-(trifluoromethoxy)phenol

Base Information

• Chemical Name: 3,5-Difluoro-4-(trifluoromethoxy)phenol
• CAS No.: 195206-85-0
• Molecular Formula: C7H3F5O2
• Molecular Weight: 214.092
• DSSTox Substance ID: DTXSID10591439
• Wikidata: Q82485204
• Mol file: 195206-85-0.mol

Synonyms:3,5-Difluoro-4-(trifluoromethoxy)phenol;195206-85-0;Phenol, 3,5-difluoro-4-(trifluoromethoxy)-;3,5-difluoro-4-trifluoromethoxyphenol;C7H3F5O2;SCHEMBL760695;DTXSID10591439;VHA20685;MFCD23111299;AKOS016011378;DS-6270;DB-330934;CS-0084814;I10933;A880153

Chemical Property of 3,5-Difluoro-4-(trifluoromethoxy)phenol

Chemical Property:

• Boiling Point: 204.8±35.0 °C(Predicted)
• PKA: 7.38±0.23(Predicted)
• PSA: 29.46000
• Density: 1.566±0.06 g/cm3(Predicted)
• LogP: 2.56900
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 1
• Exact Mass: 214.00532014
• Heavy Atom Count: 14
• Complexity: 183

Purity/Quality:

98% ^*data from raw suppliers

3,5-Difluoro-4-(trifluoromethoxy)phenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C(=C1F)OC(F)(F)F)F)O

Technology Process of 3,5-Difluoro-4-(trifluoromethoxy)phenol

There total 2 articles about 3,5-Difluoro-4-(trifluoromethoxy)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:

4-bromo-2,6-difluorotrifluoromethoxybenzene (115467-07-7) → 3,5-difluoro-4-(trifluoromethoxy)phenol (195206-85-0)

Guidance literature:

4-bromo-2,6-difluorotrifluoromethoxybenzene; With n-butyllithium; In diethyl ether; hexane; at -78 ℃; Inert atmosphere;

With Trimethyl borate; In diethyl ether; hexane; at -78 - 20 ℃; Inert atmosphere;

With dihydrogen peroxide; acetic acid; In diethyl ether; hexane; water; at -10 - 20 ℃;

Reference yield:

→ 3,5-difluoro-4-(trifluoromethoxy)phenol (195206-85-0)

Guidance literature:

Reference yield: 77.0%

3,5-difluoro-4-(trifluoromethoxy)phenol (195206-85-0) + 2-(4-bromo-2,6-difluorophenyl)-5,6-dihydro-4H-1,3-dithiyn-1-ylium triflate → 5-[(4-bromo-2,6-difluorophenyl)difluoromethoxy]-1,3-difluoro-2-(trifluoromethoxy)benzene

Guidance literature:

3,5-difluoro-4-(trifluoromethoxy)phenol; 2-(4-bromo-2,6-difluorophenyl)-5,6-dihydro-4H-1,3-dithiyn-1-ylium triflate; With triethylamine; In dichloromethane; at -90 ℃; for 1h;

With hydrogen fluoride; bromine; triethylamine; In dichloromethane; for 1h;

upstream raw materials:

4-bromo-2,6-difluorotrifluoromethoxybenzene

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