1-Fluoro-4-(4-fluorophenoxy)benzene

Base Information

• Chemical Name: 1-Fluoro-4-(4-fluorophenoxy)benzene
• CAS No.: 330-93-8
• Molecular Formula: C12H8F2O
• Molecular Weight: 206.192
• Hs Code.: 29093090
• European Community (EC) Number: 206-358-6
• NSC Number: 51793
• UNII: 9R9O553TWZ
• DSSTox Substance ID: DTXSID9022023
• Nikkaji Number: J193.760J
• Wikidata: Q27272950
• Mol file: 330-93-8.mol

Synonyms:330-93-8;Bis(4-fluorophenyl)ether;Bis(4-fluorophenyl) Ether;1-Fluoro-4-(4-fluorophenoxy)benzene;4,4'-Oxybis(fluorobenzene);4,4'-Difluorodiphenyl Ether;4-Fluorophenyl ether;p-fluorophenyl ether;1,1'-Oxybis(4-fluorobenzene);Bis(p-fluorophenyl) ether;Benzene, 1,1'-oxybis(4-fluoro-;EINECS 206-358-6;NSC 51793;UNII-9R9O553TWZ;9R9O553TWZ;NSC-51793;1,1'-Oxybis[4-fluorobenzene];Benzene, 1,1'-oxybis[4-fluoro-;4,4-Oxybis(fluorobenzene);Bis-(4-fluorophenyl) ether;4-Fluorophenyl ether, 96%;SCHEMBL351854;Benzene,1'-oxybis[4-fluoro-;DTXSID9022023;p,p'-DifluordiphenylA currencyther;ETHER, BIS(P-FLUOROPHENYL);NSC51793;MFCD00013552;AKOS015853438;DS-7414;1-Fluoro-4-(4-fluorophenoxy)benzene #;LS-184872;B2648;CS-0128406;FT-0617050;J-019022;Q27272950

Chemical Property of 1-Fluoro-4-(4-fluorophenoxy)benzene

Chemical Property:

• Appearance/Colour: Clear, colorless to pale yellow liquid
• Refractive Index: n20/D 1.537(lit.)
• Boiling Point: 248 °C at 760 mmHg
• Flash Point: 110.9 °C
• PSA: 9.23000
• Density: 1.224 g/cm³
• LogP: 3.75710
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 206.05432120
• Heavy Atom Count: 15
• Complexity: 162

Purity/Quality:

97% ^*data from raw suppliers

Bis(4-fluorophenyl) Ether >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 34
• Safety Statements: 26-36/37/39-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1OC2=CC=C(C=C2)F)F

Technology Process of 1-Fluoro-4-(4-fluorophenoxy)benzene

There total 9 articles about 1-Fluoro-4-(4-fluorophenoxy)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: 95.0%

4,4'-oxydiphenylene diamine (101-80-4,121509-79-3) → 4,4'-difluorodiphenylether (330-93-8)

Guidance literature:

With pyridine hydrogenfluoride; sodium nitrite; 1.) O deg C, 20 min, 2.) 100 deg C, 1 h;

DOI:10.1016/0040-4020(95)00867-8

Reference yield: 89.0%

4-fluoroboronic acid (1765-93-1) → 4,4'-difluorodiphenylether (330-93-8)

Guidance literature:

With copper diacetate; water; triethylamine; In dichloromethane; acetonitrile; at 25 ℃; for 6h;

DOI:10.1016/S0040-4039(03)01776-3

Reference yield: 84.0%

4-Fluorophenol (371-41-5) + 4-fluoro-1-iodobenzene (352-34-1) → 4,4'-difluorodiphenylether (330-93-8)

Guidance literature:

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

DOI:10.1039/c5cy01590a

upstream raw materials:

4,4'-oxydiphenylene diamine

1-Bromo-4-fluorobenzene

4-Fluorophenol

4-fluoroboronic acid

Downstream raw materials:

benzene

phenol

1-cyclohexyl-1H-pyrrole

N-phenylpyrrolidine

Refernces

Regioselective, nucleophilic activation of C&F bonds in o-fluoroanilines

10.1016/j.jfluchem.2019.03.009

The research aims to explore and optimize reactions involving the selective activation and substitution of aromatic fluorine substituents in ortho-fluorinated anilines using Ti(NMe2)4 as a reagent. The study focuses on the regioselective defluoroamination reaction, where a fluorine atom vicinal to the NH2 group of the starting aniline is replaced with an NMe2 group, resulting in the formation of N,N-dimethyl-1,2-phenylenediamine derivatives. The conclusions drawn from the research indicate that the reactivity of these reactions increases with additional ring fluorination, generally following established regiochemical trends. Notably, compounds with fluorines in both the 2- and 6-positions can undergo substitution at both positions given extended reaction times. The chemicals used in this process include ortho-fluorinated anilines, Ti(NMe2)4, mesitylene as the solvent, and bis(4-fluorophenyl)ether as an internal NMR standard. The reactions were found to be general, reasonably efficient, and consistent with established ancillary-fluorine substituent effects, although preliminary experiments showed limited generalization to ortho-fluorinated phenols.

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