4-Fluoroanisole

Base Information

• Chemical Name: 4-Fluoroanisole
• CAS No.: 459-60-9
• Molecular Formula: C7H7FO
• Molecular Weight: 126.13
• Hs Code.: 29093090
• European Community (EC) Number: 207-295-7
• NSC Number: 4672
• UNII: F6A62M57LM
• DSSTox Substance ID: DTXSID3060033
• Nikkaji Number: J95.438A
• Wikidata: Q63395414
• Mol file: 459-60-9.mol

Synonyms:p-fluoroanisole

Chemical Property of 4-Fluoroanisole

Chemical Property:

• Appearance/Colour: Colorless to light yellow liquid
• Vapor Pressure: 3.51mmHg at 25°C
• Melting Point: -45 °C(lit.)
• Refractive Index: n20/D 1.488(lit.)
• Boiling Point: 157.7 °C at 760 mmHg
• Flash Point: 52.3 °C
• PSA: 9.23000
• Density: 1.072 g/cm³
• LogP: 1.83430
• Storage Temp.: Flammables area
• Water Solubility.: Not miscible or difficult to mix in water.
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 126.048093005
• Heavy Atom Count: 9
• Complexity: 77

Purity/Quality:

99% ^*data from raw suppliers

4-Fluoroanisole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F
• Hazard Codes: F
• Statements: 10
• Safety Statements: 16

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)F
• Uses: An Acetanilide and Anisole derivative metabolite by liver. 4-Fluoroanisole is a raw material for medicine and intermediate.

Technology Process of 4-Fluoroanisole

There total 126 articles about 4-Fluoroanisole 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: 82.0%

methoxybenzene (100-66-3) → 1-fluoro-4-methoxybenzene (459-60-9) + 1-fluoro-2-methoxybenzene (321-28-8) + 1-chloromethyl-1,4-diazoniabicyclo[2.2.2]octane ditriflate

Guidance literature:

With 1-chloromethyl-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane bis(trifluoromethanesulfonate); In acetonitrile; at 90 ℃; Yield given. Title compound not separated from byproducts;

DOI:10.1039/p19960002069

Reference yield: 77.0%

methoxybenzene (100-66-3) → 1-fluoro-4-methoxybenzene (459-60-9) + 1-fluoro-2-methoxybenzene (321-28-8)

Guidance literature:

With acetyl hypofluorite; In dichloromethane; trichlorofluoromethane; at -75 ℃;

DOI:10.1021/jo00179a012

Reference yield: 77.0%

acetyl hypofluorite (78948-09-1) + methoxybenzene (100-66-3) → 1-fluoro-4-methoxybenzene (459-60-9) + 1-fluoro-2-methoxybenzene (321-28-8)

Guidance literature:

In dichloromethane; trichlorofluoromethane; at -75 ℃; Product distribution; further aromatic compounds investigated;

DOI:10.1021/jo00179a012

upstream raw materials:

4-methoxybenzenediazonium tetrafluoroborate

4-methoxy-aniline

4-Fluorophenol

dimethyl sulfate

Downstream raw materials:

5-fluoro-2-methoxybenzoic acid

4-Fluorophenol

(4-fluoro-phenyl)-trichloromethyl ether

4-fluoro-2,6-dinitrophenol