1-Phenoxy-3-(trifluoromethyl)benzene

Base Information

• Chemical Name: 1-Phenoxy-3-(trifluoromethyl)benzene
• CAS No.: 330-58-5
• Molecular Formula: C13H9F3O
• Molecular Weight: 238.209
• Hs Code.: 2909309090
• DSSTox Substance ID: DTXSID10546222
• Nikkaji Number: J2.647.991F
• Wikidata: Q72512227
• Mol file: 330-58-5.mol

Synonyms:1-phenoxy-3-(trifluoromethyl)benzene;330-58-5;3-(TRIFLUOROMETHYL)DIPHENYL ETHER;SCHEMBL9546526;DTXSID10546222;NCKLXFNNEBEKEA-UHFFFAOYSA-N;MFCD12032175;AKOS005257880

Chemical Property of 1-Phenoxy-3-(trifluoromethyl)benzene

Chemical Property:

• Boiling Point: 260℃
• Flash Point: 118℃
• PSA: 9.23000
• Density: 1.230
• LogP: 4.49770
• Storage Temp.: 2-8°C
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 238.06054939
• Heavy Atom Count: 17
• Complexity: 233

Purity/Quality:

98%,99%, ^*data from raw suppliers

1-Phenoxy-3-(trifluoromethyl)benzene 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-Phenoxy-3-(trifluoromethyl)benzene

There total 14 articles about 1-Phenoxy-3-(trifluoromethyl)benzene 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: 98.0%

m-trifluoromethylphenyl iodide (401-81-0) + phenol (108-95-2,27073-41-2) → phenyl m-α,α,α-trifluorotolyl ether (330-58-5)

Guidance literature:

With aluminum oxide; potassium fluoride; copper(l) iodide; 1,10-Phenanthroline; at 110 ℃; for 11h;

DOI:10.1055/s-2005-865198

Reference yield: 90.0%

bis(3-trifluoromethyl)phenyliodonium tetrafluoroborate + phenol (108-95-2,27073-41-2) → phenyl m-α,α,α-trifluorotolyl ether (330-58-5)

Guidance literature:

phenol; With potassium tert-butylate; In tetrahydrofuran; at 0 ℃; for 0.25h;

bis(3-trifluoromethylphenyl)iodonium tetrafluoroborate; In tetrahydrofuran; at 40 ℃; for 0.25h;

DOI:10.1021/ol200265t

Reference yield: 83.0%

3-Trifluoromethylphenol (98-17-9) + diphenyliodonium tetrafluoroborate → phenyl m-α,α,α-trifluorotolyl ether (330-58-5)

Guidance literature:

With sodium hydroxide; In water; at 20 - 60 ℃; for 5h;

DOI:10.1021/ol402960f

upstream raw materials:

3-chlorotrifluoromethylbenzene

phenol

3-bromo-1-trifluoromethylbenzene

sodium phenoxide

Downstream raw materials:

3-Trifluoromethylphenol

Refernces

• 1、 Zhang, Baohua,Shi, Lanxiang,Guo, Ruixia,Liu, Sijie. "Ullmann diaryl ether synthesis catalyzed by copper (I)/pyridine-functionalized silane". . p. 930 - 932. Retrieved 2016/07/06.
• 2、 Wang, Jiayi,Ferguson, Devin M.,Kalyani, Dipannita. "Nickel-catalyzed intramolecular C-H arylation using aryl pivalates as electrophiles". . p. 5780 - 5790. Retrieved 2013/07/19.