1-Fluoro-4-phenoxybenzene

Base Information

• Chemical Name: 1-Fluoro-4-phenoxybenzene
• CAS No.: 330-84-7
• Molecular Formula: C12H9FO
• Molecular Weight: 188.201
• Hs Code.: 29093090
• European Community (EC) Number: 206-357-0
• NSC Number: 51798
• DSSTox Substance ID: DTXSID00186636
• Nikkaji Number: J193.759F
• Wikidata: Q83057990
• Mol file: 330-84-7.mol

Synonyms:1-Fluoro-4-phenoxybenzene;4-Fluorodiphenyl ether;330-84-7;4-fluorophenyl phenyl ether;Benzene, 1-fluoro-4-phenoxy-;EINECS 206-357-0;4-Fluorodiphenylether;NSC51798;4-fluorophenoxybenzene;p-FluordiphenylA currencyther;1-Fluoro-4-phenoxybenzene #;SCHEMBL255272;DTXSID00186636;MFCD00055239;NSC 51798;NSC-51798;AKOS006228177;PS-8442;4-Fluorophenyl phenyl ether, >=98.0%;CS-0451145;FT-0618528;F81491;A821611;J-019018

Chemical Property of 1-Fluoro-4-phenoxybenzene

Chemical Property:

• Appearance/Colour: colorless to light yellow liquid
• Vapor Pressure: 0.00061mmHg at 25°C
• Refractive Index: n20/D 1.557
• Boiling Point: 249.8 °C at 760 mmHg
• Flash Point: 93.1 °C
• PSA: 9.23000
• Density: 1.145 g/cm³
• LogP: 3.61800
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 188.063743068
• Heavy Atom Count: 14
• Complexity: 158

Purity/Quality:

98%min ^*data from raw suppliers

1-Fluoro-4-phenoxybenzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37/39-37

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of 1-Fluoro-4-phenoxybenzene

There total 38 articles about 1-Fluoro-4-phenoxybenzene 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: 97.0%

4-fluoro-1-iodobenzene (352-34-1) + phenol (108-95-2,27073-41-2) → 4-fluorophenoxybenzene (330-84-7)

Guidance literature:

With caesium carbonate; In N,N-dimethyl-formamide; at 130 ℃; for 24h;

DOI:10.1039/c5cy01590a

Reference yield: 95.0%

mesityl(4-phenoxyphenyl)iodonium tetrafluoroborate → 4-fluorophenoxybenzene (330-84-7)

Guidance literature:

With potassium fluoride; 18-crown-6 ether; copper(II) bis(trifluoromethanesulfonate); In N,N-dimethyl-formamide; at 60 ℃; for 18h;

DOI:10.1016/j.tet.2019.05.033

Reference yield: 92.0%

4-Fluorophenol (371-41-5) + triphenyltin chloride (639-58-7) → 4-fluorophenoxybenzene (330-84-7)

Guidance literature:

With triethylamine; at 20 ℃; for 24h;

DOI:10.1039/c5ra01934f

upstream raw materials:

potassium phenolate

1-Bromo-4-fluorobenzene

4-Fluorophenol

diphenyliodonium bromide

Downstream raw materials:

4-Fluorophenol

2-fluoro-9H-xanthen-9-one

phenol

(4-(4-fluorophenoxy)phenyl)boronic acid

Refernces

• 1、 Abudken, Ahmed M. H.,Hope, Eric G.,Singh, Kuldip,Stuart, Alison M.. "Fluorinations of unsymmetrical diaryliodonium salts containing: Ortho -sidearms; Influence of sidearm on selectivity". supporting information. p. 6140 - 6146. Retrieved 2020/10/30.
• 2、 Schimler, Sydonie D.,Froese, Robert D. J.,Bland, Douglas C.,Sanford, Melanie S.. "Reactions of Arylsulfonate Electrophiles with NMe4F: Mechanistic Insight, Reactivity, and Scope". . p. 11178 - 11190. Retrieved 2018/09/12.