2,4-Difluoroanisole

Base Information

• Chemical Name: 2,4-Difluoroanisole
• CAS No.: 452-10-8
• Molecular Formula: C7H6F2O
• Molecular Weight: 144.121
• Hs Code.: 29093090
• European Community (EC) Number: 610-230-9
• DSSTox Substance ID: DTXSID60196418
• Nikkaji Number: J208.425B
• Wikidata: Q72462347
• Mol file: 452-10-8.mol

Synonyms:2,4-Difluoroanisole;452-10-8;2,4-Difluoro-1-methoxybenzene;252-10-8;Benzene, 2,4-difluoro-1-methoxy-;2,4-difluoromethoxy benzene;SCHEMBL197204;1,3-Difluoro-4-methoxybenzene;DTXSID60196418;2,4-Difluoro-1-methoxybenzene #;MFCD00010731;AKOS005255195;AC-3784;CS-W011011;PS-8980;1H,5H-Pyrazolo[1,2-a]pyrazole(8ci,9ci);AM20040503;D1849;FT-0610081;A19863;EN300-102841;H10488;A817708;J-507208

Chemical Property of 2,4-Difluoroanisole

Chemical Property:

• Appearance/Colour: Clear colourless to light yellow liquid
• Refractive Index: 1.471-1.473
• Boiling Point: 155.8 °C at 760 mmHg
• Flash Point: 51.1 °C
• PSA: 9.23000
• Density: 1.182 g/cm³
• LogP: 1.97340
• Storage Temp.: Flammables area
• Water Solubility.: insoluble
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 144.03867113
• Heavy Atom Count: 10
• Complexity: 108

Purity/Quality:

97% ^*data from raw suppliers

2,4-Difluoroanisole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi, F, Xn
• Hazard Codes: Xi,F,Xn
• Statements: 36/37/38-10
• Safety Statements: 7/9-16-37-26

MSDS Files:

Useful:

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

Technology Process of 2,4-Difluoroanisole

There total 6 articles about 2,4-Difluoroanisole 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%

2,4-difluorophenol (367-27-1) + dimethyl sulfate (77-78-1) → 2,4-difluoro-1-methoxybenzene (452-10-8)

Guidance literature:

With potassium carbonate; In acetone; for 48h; Heating;

DOI:10.1021/jm00076a024

Reference yield: 94.0%

2,4-difluorophenol (367-27-1) + carbonic acid dimethyl ester (616-38-6) → 2,4-difluoro-1-methoxybenzene (452-10-8)

Guidance literature:

With magnesium oxide; In N,N-dimethyl-formamide; at 170 ℃; for 0.5h; Microwave irradiation; Green chemistry;

DOI:10.1039/c4ra07240e

Reference yield:

methoxybenzene (100-66-3) → 1-fluoro-4-methoxybenzene (459-60-9) + 1-fluoro-2-methoxybenzene (321-28-8) + 2,4-difluoro-1-methoxybenzene (452-10-8)

Guidance literature:

With formic acid; N,N'-difluoro-1,4-diazoniabicyclo<2.2.2>octane bis(triflate); for 0.25h; Product distribution; Mechanism; Ambient temperature; other nucleophiles; other N,N'-difluoro-1,4-diazoniabicyclo<2.2.2>octane salts; other solvents; var. temp. and reaction times;

DOI:10.1246/bcsj.69.2287

upstream raw materials:

2,4-difluorophenol

dimethyl sulfate

methoxybenzene

methyl iodide

Downstream raw materials:

2,4-difluorophenol

2,6-difluoro-3-methoxybenzaldehyde

2-(2,6-difluoro-3-methoxyphenyl)ethyl-amine

2,4-difluoro-5-methoxybenzaldehyde