1-Phenoxy-4-(trifluoromethyl)benzene

Base Information

• Chemical Name: 1-Phenoxy-4-(trifluoromethyl)benzene
• CAS No.: 2367-02-4
• Molecular Formula: C13H9F3O
• Molecular Weight: 238.209
• Hs Code.: 2909309090
• DSSTox Substance ID: DTXSID30380544
• Nikkaji Number: J2.896.899J
• Wikidata: Q72511969
• Mol file: 2367-02-4.mol

Synonyms:1-phenoxy-4-(trifluoromethyl)benzene;2367-02-4;4-(Trifluoromethyl)diphenyl ether;4-Phenoxybenzotrifluoride;4-(Trifluoromethyl)diphenylether;Benzene, 1-phenoxy-4-(trifluoromethyl)-;trifluoromethyldiphenyl ether;SCHEMBL254896;DTXSID30380544;UZJUDUZMPNCXPF-UHFFFAOYSA-N;MFCD01631641;AKOS015995332;AS-40446;4-Phenoxy-alpha,alpha,alpha-trifluorotoluene;CS-0156087;FT-0619370

Chemical Property of 1-Phenoxy-4-(trifluoromethyl)benzene

Chemical Property:

• Vapor Pressure: 0.0167mmHg at 25°C
• Refractive Index: 1.5135
• Boiling Point: 263.5 °C at 760 mmHg
• Flash Point: 120.4 °C
• PSA: 9.23000
• Density: 1.23 g/cm³
• LogP: 4.49770
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility.: Slightly soluble in water.
• 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: 225

Purity/Quality:

99% ^*data from raw suppliers

4-(TRIFLUOROMETHYL)DIPHENYL ETHER 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)OC2=CC=C(C=C2)C(F)(F)F
• Uses: 4-(Trifluoromethyl)diphenyl ether is used as a pharmaceutical intermediate.

Technology Process of 1-Phenoxy-4-(trifluoromethyl)benzene

There total 37 articles about 1-Phenoxy-4-(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: 99.0%

4-phenoxyphenylboronic acid (51067-38-0) + (bipyridine)CuIII(CF3)3 (1680206-12-5) → 1-phenoxy-4-(trifluoromethyl)benzene (2367-02-4)

Guidance literature:

With potassium fluoride; oxygen; In N,N-dimethyl-formamide; at 20 ℃; for 18h;

DOI:10.1039/c6ra10302b

Reference yield: 97.0%

4-trifluoromethylphenylboronic acid (128796-39-4) + phenol (108-95-2,27073-41-2) → 1-phenoxy-4-(trifluoromethyl)benzene (2367-02-4)

Guidance literature:

With copper diacetate; triethylamine; In dichloromethane; at 0 - 5 ℃; for 4h; Sonication; Green chemistry;

DOI:10.3987/COM-14-S(K)18

Reference yield: 94.0%

Togni's reagent (887144-97-0) + potassium trifluoro(4-phenoxyphenyl)borate (1187951-62-7,1412414-34-6) → 1-phenoxy-4-(trifluoromethyl)benzene (2367-02-4)

Guidance literature:

With [2,2]bipyridinyl; copper(II) trifluoroacetate; In acetonitrile; at 20 ℃; for 12h; Schlenk technique; Inert atmosphere; Molecular sieve;

DOI:10.1016/j.tet.2012.09.083

upstream raw materials:

4-hydroxybenzotrifluoride

triphenyl bismuth ⁽²⁺⁾; dichloride

p-nitrobenzotrifluoride

sodium phenoxide

Downstream raw materials:

α,α,α-trifluorotoluene

benzene

phenol

p-cresol