1-Fluoro-3-phenoxybenzene

Base Information

• Chemical Name: 1-Fluoro-3-phenoxybenzene
• CAS No.: 3798-89-8
• Molecular Formula: C12H9FO
• Molecular Weight: 188.201
• Hs Code.: 2909309090
• DSSTox Substance ID: DTXSID40544372
• Wikidata: Q82421474
• Mol file: 3798-89-8.mol

Synonyms:1-Fluoro-3-phenoxybenzene;3798-89-8;3-Phenoxyfluorobenzene;3-Fluorodiphenyl ether;SCHEMBL8416223;DTXSID40544372;WQXIFDPMJPHDPE-UHFFFAOYSA-N;MFCD17015805;AKOS006335377;AM82882;BS-28068;CS-0212364

Chemical Property of 1-Fluoro-3-phenoxybenzene

Chemical Property:

• Boiling Point: 249.6±23.0 °C(Predicted)
• PSA: 9.23000
• Density: 1.145±0.06 g/cm3(Predicted)
• LogP: 3.61800
• Storage Temp.: Room temperature.
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 188.063743068
• Heavy Atom Count: 14
• Complexity: 166

Purity/Quality:

98.5% ^*data from raw suppliers

1-Fluoro-3-phenoxybenzene ^*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)F

Technology Process of 1-Fluoro-3-phenoxybenzene

There total 6 articles about 1-Fluoro-3-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: 75.0%

C15H15FIO3(1+)*C7H7O3S(1-) + phenol (108-95-2,27073-41-2) → 1-fluoro-3-phenoxybenzene (3798-89-8)

Guidance literature:

With potassium carbonate; In toluene; at 55 ℃; for 2h; Sealed tube;

DOI:10.1002/adsc.201901187

Reference yield: 71.0%

3-phenoxybenzenediazonium tetrafluoroborate → 1-fluoro-3-phenoxybenzene (3798-89-8)

Guidance literature:

With 4-(difluoroiodo)toluene; boron trifluoride diethyl etherate; at 40 ℃; for 36h; Reagent/catalyst; Catalytic behavior; Glovebox; Sealed tube; Inert atmosphere;

DOI:10.1002/anie.201802466

Reference yield: 36.0%

3-fluorobromobenzene (1073-06-9) + phenol (108-95-2,27073-41-2) → 1-fluoro-3-phenoxybenzene (3798-89-8)

Guidance literature:

With copper(l) iodide; iron(III)-acetylacetonate; potassium carbonate; In 1-methyl-pyrrolidin-2-one; at 150 ℃; for 4h; Inert atmosphere;

upstream raw materials:

3-fluorobromobenzene

sodium phenoxide

phenol

3-phenoxyaniline

Downstream raw materials:

diphenylether

4,4,5,5-tetramethyl-2-(3-phenoxyphenyl)-1,3,2-dioxaborolane

4′,6′-bis([1,1′-biphenyl]-4-yloxy)-5′-bromo-1,1′:3′,1″-terphenyl

2-acetylthio-3-<4-(3-fluorophenoxy)benzoyl>propionic acid