2-Fluoro-5-(trifluoromethyl)anisole

Base Information

• Chemical Name: 2-Fluoro-5-(trifluoromethyl)anisole
• CAS No.: 261951-78-4
• Molecular Formula: C8H6F4O
• Molecular Weight: 194.129
• Hs Code.: 2909309090
• European Community (EC) Number: 642-818-6
• DSSTox Substance ID: DTXSID30379211
• Wikidata: Q82168921
• Mol file: 261951-78-4.mol

Synonyms:261951-78-4;2-Fluoro-5-(trifluoromethyl)anisole;1-fluoro-2-methoxy-4-(trifluoromethyl)benzene;4-Fluoro-3-methoxybenzotrifluoride;SCHEMBL935540;DTXSID30379211;INIMKRLISMKOEC-UHFFFAOYSA-N;MFCD01631564;AKOS005257609;JS-4150;CS-0312869;FT-0618481;E89587;1-fluoranyl-2-methoxy-4-(trifluoromethyl)benzene;A818305

Chemical Property of 2-Fluoro-5-(trifluoromethyl)anisole

Chemical Property:

• Vapor Pressure: 2.54mmHg at 25°C
• Refractive Index: 1.4352
• Boiling Point: 164.8 °C at 760 mmHg
• Flash Point: 52.2 °C
• PSA: 9.23000
• Density: 1.284 g/cm³
• LogP: 2.85310
• Storage Temp.: 2-8°C
• Water Solubility.: Not miscible in water.
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 194.03547746
• Heavy Atom Count: 13
• Complexity: 168

Purity/Quality:

99% ^*data from raw suppliers

2-Fluoro-5-(trifluoromethyl)anisole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R10:Flammable.; R36/38:Irritating to eyes and skin.
• Hazard Codes: F
• Statements: 10
• Safety Statements: 16

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=CC(=C1)C(F)(F)F)F

Technology Process of 2-Fluoro-5-(trifluoromethyl)anisole

There total 1 articles about 2-Fluoro-5-(trifluoromethyl)anisole 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: 48.0%

2-fluoro-5-trifluoromethylphenol (141483-15-0) + methyl iodide (74-88-4) → 1-fluoro-2-methoxy-4-(trifluoromethyl)benzene (261951-78-4)

Guidance literature:

2-fluoro-5-trifluoromethylphenol; With sodium hydride; In tetrahydrofuran; mineral oil; at 0 - 20 ℃; for 1h;

methyl iodide; In tetrahydrofuran; mineral oil; at 0 - 60 ℃; for 1h;

DOI:10.1021/acs.orglett.9b00489

Reference yield: 92.0%

Isobutyronitrile (78-82-0) + 1-fluoro-2-methoxy-4-(trifluoromethyl)benzene (261951-78-4) → 2-(2-methoxy-4-(trifluoromethyl)phenyl)-2-methylpropanenitrile

Guidance literature:

With potassium hexamethylsilazane; In toluene; at 75 ℃; for 16h;

DOI:10.1021/acs.orglett.9b00489

Reference yield: 69.0%

1-fluoro-2-methoxy-4-(trifluoromethyl)benzene (261951-78-4) + benzyl alcohol (100-51-6,185532-71-2) → C15H13F3O2

Guidance literature:

With sodium hydride; In N,N-dimethyl-formamide;

DOI:10.1016/j.bmcl.2015.09.005

upstream raw materials:

2-fluoro-5-trifluoromethylphenol

methyl iodide

Downstream raw materials:

2-phenoxy-5-trifluoromethyl-anisole

2-methoxy-4-(trifluoromethyl)phenol

2,3,3-trimethyl-6-trifluoromethylindolenine

2-methoxy-5-(trifluoromethyl)benzonitrile

Refernces

• 1、 -. "CYCLIC AMINE COMPOUND AND PEST CONTROL AGENT". Page/Page column 19. . Retrieved 2008/06/13.