4-(Trifluoromethoxy)fluorobenzene

Base Information

• Chemical Name: 4-(Trifluoromethoxy)fluorobenzene
• CAS No.: 352-67-0
• Molecular Formula: C7H4 F4 O
• Molecular Weight: 180.102
• Hs Code.: 29093090
• European Community (EC) Number: 206-523-2
• UNII: GY6RDC3FBT
• DSSTox Substance ID: DTXSID40188699
• Nikkaji Number: J193.823A
• Wikidata: Q72511391
• Mol file: 352-67-0.mol

Synonyms:1-Fluoro-4-(trifluoromethoxy)Benzene;352-67-0;4-(Trifluoromethoxy)fluorobenzene;4-FLUORO(TRIFLUOROMETHOXY)BENZENE;Benzene, 1-fluoro-4-(trifluoromethoxy)-;p,alpha,alpha,alpha-Tetrafluoroanisole;C7H4F4O;GY6RDC3FBT;p-Fluorophenyl trifluoromethyl ether;1-Fluoro-4-trifluoromethoxy-benzene;p-fluoro(trifluoromethoxy)benzene;1-fluoro-4-trifluoromethoxybenzene;EINECS 206-523-2;4-(trifluoromethoxy)-1-fluorobenzene;4-Flourobenzotrichloride;UNII-GY6RDC3FBT;p,A,A,A-Tetrafluoroanisole;4-fluorotrifluoromethoxybenzene;SCHEMBL255560;p-fluoro trifluoromethoxy benzene;AMY5194;DTXSID40188699;4-(Trifluoromethoxy)phenyl fluoride;MFCD00040835;AKOS005064101;4-Fluorophenyl trifluoromethyl ether #;CS-W017232;1-fluoro-4-(trifluoromethyloxy)-benzene;AC-26093;PS-11655;A6194;FT-0607776;EN300-305770;W-106684;ANISOLE, P,.ALPHA.,.ALPHA.,.ALPHA.-TETRAFLUORO-

Chemical Property of 4-(Trifluoromethoxy)fluorobenzene

Chemical Property:

• Appearance/Colour: Colorless liquid
• Vapor Pressure: 35.7mmHg at 25°C
• Refractive Index: n20/D 1.394(lit.)
• Boiling Point: 104.5 °C at 760 mmHg
• Flash Point: 15.6 °C
• PSA: 9.23000
• Density: 1.343 g/cm³
• LogP: 2.72430
• Storage Temp.: Room temperature.
• Water Solubility.: Not miscible or difficult to mix in water.
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 180.01982740
• Heavy Atom Count: 12
• Complexity: 137

Purity/Quality:

99% ^*data from raw suppliers

1-Fluoro-4-(trifluoromethoxy)benzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F,Xi
• Hazard Codes: F,Xi
• Statements: 11-36/37/38
• Safety Statements: 16-26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1OC(F)(F)F)F

Technology Process of 4-(Trifluoromethoxy)fluorobenzene

There total 24 articles about 4-(Trifluoromethoxy)fluorobenzene 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: 76.0%

α,α-difluoro(4-fluorophenoxy)acetic acid (338792-64-6) → 1-fluoro-4-(trifluoromethoxy)benzene (352-67-0)

Guidance literature:

With selectfluor II; silver(I) iodide; In dichloromethane; water; at 80 ℃; for 12h; Inert atmosphere;

DOI:10.1021/acs.orglett.6b01779

Reference yield:

tributyl(4-fluorophenyl)stannane (17151-47-2) + tris(dimethylamino)sulfonium trifluoromethoxide (96898-10-1) → fluorobenzene (462-06-6) + 4-Fluorophenol (371-41-5) + 1-fluoro-4-(trifluoromethoxy)benzene (352-67-0)

Guidance literature:

tributyl(4-fluorophenyl)stannane; tris(dimethylamino)sulfonium trifluoromethoxide; With trifluoromethyl trifluoromethanesulfonate; sodium hydrogencarbonate; In tetrahydrofuran; at -30 ℃; Inert atmosphere;

With silver nitrate; 1-(chloromethyl)-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane bis(hexafluorophosphate); In tetrahydrofuran; acetone; at -30 - 23 ℃; Inert atmosphere; Darkness;

DOI:10.1021/ja204861a

Reference yield:

trifluoromethyl trifluoromethanesulfonate (3582-05-6) + tributyl(4-fluorophenyl)stannane (17151-47-2) → fluorobenzene (462-06-6) + 1-fluoro-4-(trifluoromethoxy)benzene (352-67-0)

Guidance literature:

trifluoromethyl trifluoromethanesulfonate; tributyl(4-fluorophenyl)stannane; With sodium hydrogencarbonate; In tetrahydrofuran; at -30 ℃; Inert atmosphere;

With silver(I) hexafluorophosphate; 1-(chloromethyl)-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane bis(hexafluorophosphate); In tetrahydrofuran; acetone; at -30 - 23 ℃; Inert atmosphere; Darkness;

DOI:10.1021/ja204861a

upstream raw materials:

(4-fluoro-phenyl)-trichloromethyl ether

p-fluorophenyl trifluoroacetate

1-fluoro-4-methoxybenzene

trifluoromethyl trifluoromethanesulfonate

Downstream raw materials:

2-fluoro-5-(trifluoromethoxy)benzaldehyde

2,2,2-trifluoro-N-(4-fluoro-3-{1-[4-fluoro-1-(2-methoxyethyl)-7-trifluoromethoxy-1H-indole-3-carbonyl]piperidin-4-yl}benzyl)acetamide

(3-fluoro-6-trifluoromethoxy-2-trimethylsilanylethynylphenyl)carbamic acid ethyl ester

(3-fluoro-2-iodo-6-trifluoromethoxyphenyl)carbamic acid ethyl ester

Refernces

• 1、 Cendón, Borja,Gulías, Moisés,Ho, Michelle,No?l, Timothy,Nyuchev, Alexander V.,Sambiagio, Carlo,Struijs, Job J. C.,Wan, Ting,Wang, Ying. "Photocatalytic trifluoromethoxylation of arenes and heteroarenes in continuous-flow". supporting information. p. 1305 - 1312. Retrieved 2020/07/10.
• 2、 Yang, Shaoqiang,Chen, Miao,Tang, Pingping. "Visible-Light Photoredox-Catalyzed and Copper-Promoted Trifluoromethoxylation of Arenediazonium Tetrafluoroborates". supporting information. p. 7840 - 7844. Retrieved 2019/05/15.